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 190.1
[M+Na]+ 391.19922 197.6
[M-H]- 367.20272 192.7
[M+NH4]+ 386.24382 212.3
[M+K]+ 407.17316 191.8
[M+H-H2O]+ 351.20726 181.7
[M+HCOO]- 413.20820 199.3
[M+CH3COO]- 427.22385 198.7
[M+Na-2H]- 389.18467 190.9
[M]+ 368.20945 190.3
[M]- 368.21055 190.3
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.