PubChemLite - (-)-coronaridine(1+) (C21H26N2O2)

Structural Information

Molecular Formula

SMILES

CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC

InChI

InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14+,19+,21-/m1/s1

InChIKey

NVVDQMVGALBDGE-PZXGUROGSA-N

Compound name

methyl (1S,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-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]+	339.20671	170.3
[M+Na]+	361.18865	179.7
[M+NH4]+	356.23325	180.7
[M+K]+	377.16259	173.7
[M-H]-	337.19215	169.3
[M+Na-2H]-	359.17410	168.8
[M]+	338.19888	171.5
[M]-	338.19998	171.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

339.20671

170.3

[M+Na]+

361.18865

179.7

[M+NH4]+

356.23325

180.7

[M+K]+

377.16259

173.7

[M-H]-

337.19215

169.3

[M+Na-2H]-

359.17410

168.8

[M]+

338.19888

171.5

[M]-

338.19998

171.5

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

(-)-coronaridine(1+)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe