CID 129320391

Desacetoxyvindorosine

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC[C@]12C[C@@](C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3C)(C(=O)OC)O
InChI
InChI=1S/C22H28N2O3/c1-4-20-10-7-12-24-13-11-21(17(20)24)15-8-5-6-9-16(15)23(2)18(21)22(26,14-20)19(25)27-3/h5-10,17-18,26H,4,11-14H2,1-3H3/t17-,18?,20-,21+,22+/m0/s1
InChIKey
VCANAWRETHJMLW-CTILAWNOSA-N
Compound name
methyl (1R,10R,12R,19S)-12-ethyl-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

368.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 189.1
[M+Na]+ 391.19922 198.4
[M+NH4]+ 386.24382 201.4
[M+K]+ 407.17316 189.9
[M-H]- 367.20272 189.8
[M+Na-2H]- 389.18467 192.0
[M]+ 368.20945 191.0
[M]- 368.21055 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.