PubChemLite - Reserpiline (C23H28N2O5)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC

InChI

InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14-,16-,19+/m0/s1

InChIKey

FGWJRZQNNZVCHR-BCRCDCHUSA-N

Compound name

methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-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]+	413.20711	200.4
[M+Na]+	435.18905	212.8
[M+NH4]+	430.23365	207.5
[M+K]+	451.16299	208.3
[M-H]-	411.19255	203.2
[M+Na-2H]-	433.17450	199.1
[M]+	412.19928	202.9
[M]-	412.20038	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.20711

200.4

[M+Na]+

435.18905

212.8

[M+NH4]+

430.23365

207.5

[M+K]+

451.16299

208.3

[M-H]-

411.19255

203.2

[M+Na-2H]-

433.17450

199.1

[M]+

412.19928

202.9

[M]-

412.20038

202.9

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

Reserpiline

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe