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]+ 369.217276 190.1
[M+Na]+ 391.199218 197.6
[M-H]- 367.202724 192.7
[M+NH4]+ 386.243823 212.3
[M+K]+ 407.173158 191.8
[M+H-H2O]+ 351.207260 181.7
[M+HCOO]- 413.208201 199.3
[M+CH3COO]- 427.223851 198.7
[M+Na-2H]- 389.184666 190.9
[M]+ 368.20945142 190.3
[M]- 368.21054858 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.