CID 118196485

Bms-986158

Structural Information

Molecular Formula
C30H33N5O2
SMILES
CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3[C@@H](C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2
InChI
InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
InChIKey
KGERZPVQIRYWRK-GDLZYMKVSA-N
Compound name
2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

281
Patents

495.26343 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.27071 222.0
[M+Na]+ 518.25265 238.5
[M+NH4]+ 513.29725 228.0
[M+K]+ 534.22659 234.8
[M-H]- 494.25615 229.2
[M+Na-2H]- 516.23810 229.5
[M]+ 495.26288 226.7
[M]- 495.26398 226.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe