CID 71711529

Lhf-535

Structural Information

Molecular Formula
C27H28N2O2
SMILES
CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)/C=C\C4=CC=C(C=C4)C(C)(C)O
InChI
InChI=1S/C27H28N2O2/c1-19(2)31-24-14-12-23(13-15-24)29-18-28-25-17-21(9-16-26(25)29)6-5-20-7-10-22(11-8-20)27(3,4)30/h5-19,30H,1-4H3/b6-5-
InChIKey
DBNZTRPIBJSUIX-WAYWQWQTSA-N
Compound name
2-[4-[(Z)-2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

412.2151 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.222376 205.9
[M+Na]+ 435.204318 213.3
[M-H]- 411.207824 212.9
[M+NH4]+ 430.248923 215.5
[M+K]+ 451.178258 206.0
[M+H-H2O]+ 395.212360 195.4
[M+HCOO]- 457.213301 222.4
[M+CH3COO]- 471.228951 225.2
[M+Na-2H]- 433.189766 206.8
[M]+ 412.21455142 209.0
[M]- 412.21564858 209.0
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