10-methoxy vincamedine (C25H30N2O5)

Structural Information

Molecular Formula

SMILES

C/C=C/1\CN2C3CC1C4(C2CC5(C3N(C6=C5C=C(C=C6)OC)C)C4OC(=O)C)C(=O)OC

InChI

InChI=1S/C25H30N2O5/c1-6-14-12-27-19-10-16(14)25(23(29)31-5)20(27)11-24(22(25)32-13(2)28)17-9-15(30-4)7-8-18(17)26(3)21(19)24/h6-9,16,19-22H,10-12H2,1-5H3/b14-6+

InChIKey

QZNINFGIPGLDDT-MKMNVTDBSA-N

Compound name

methyl (13Z)-18-acetyloxy-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	439.222756	198.0
[M+Na]+	461.204698	201.4
[M-H]-	437.208204	195.5
[M+NH4]+	456.249303	218.3
[M+K]+	477.178638	196.6
[M+H-H2O]+	421.212740	188.9
[M+HCOO]-	483.213681	198.0
[M+CH3COO]-	497.229331	203.4
[M+Na-2H]-	459.190146	198.1
[M]+	438.21493142	204.0
[M]-	438.21602858	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.222756

198.0

[M+Na]+

461.204698

201.4

[M-H]-

437.208204

195.5

[M+NH4]+

456.249303

218.3

[M+K]+

477.178638

196.6

[M+H-H2O]+

421.212740

188.9

[M+HCOO]-

483.213681

198.0

[M+CH3COO]-

497.229331

203.4

[M+Na-2H]-

459.190146

198.1

[M]+

438.21493142

204.0

[M]-

438.21602858

204.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

10-methoxy vincamedine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe