CID 3050106

6-hydroxyvincamine

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(C(C3)O)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
InChI
InChI=1S/C21H26N2O4/c1-3-20-9-6-10-22-11-15(24)16-13-7-4-5-8-14(13)23(17(16)18(20)22)21(26,12-20)19(25)27-2/h4-5,7-8,15,18,24,26H,3,6,9-12H2,1-2H3/t15?,18-,20+,21+/m1/s1
InChIKey
TXHURIYMDHQMPV-FPKOIGIDSA-N
Compound name
methyl (15S,17S,19S)-15-ethyl-9,17-dihydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.1
[M+Na]+ 393.17849 199.9
[M+NH4]+ 388.22309 199.6
[M+K]+ 409.15243 191.5
[M-H]- 369.18199 189.1
[M+Na-2H]- 391.16394 190.2
[M]+ 370.18872 190.8
[M]- 370.18982 190.8
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

patents stripe