CID 129320417

Deacetylvindorosine

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)C([C@]([C@@H]2O)(C(=O)OC)O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C22H28N2O4/c1-4-20-10-7-12-24-13-11-21(16(20)24)14-8-5-6-9-15(14)23(2)17(21)22(27,18(20)25)19(26)28-3/h5-10,16-18,25,27H,4,11-13H2,1-3H3/t16-,17?,18+,20+,21+,22-/m0/s1
InChIKey
HVBGZKVTJLINJW-AZNOBPCBSA-N
Compound name
methyl (1R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-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

384.2049 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 191.2
[M+Na]+ 407.19412 199.8
[M+NH4]+ 402.23872 202.6
[M+K]+ 423.16806 192.4
[M-H]- 383.19762 191.0
[M+Na-2H]- 405.17957 193.1
[M]+ 384.20435 192.6
[M]- 384.20545 192.6
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.