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]+ 413.22238 204.6
[M+Na]+ 435.20432 220.5
[M+NH4]+ 430.24892 211.5
[M+K]+ 451.17826 213.5
[M-H]- 411.20782 209.7
[M+Na-2H]- 433.18977 213.5
[M]+ 412.21455 208.6
[M]- 412.21565 208.6
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

patents stripe