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

25
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 205.9
[M+Na]+ 435.20432 213.3
[M-H]- 411.20782 212.9
[M+NH4]+ 430.24892 215.5
[M+K]+ 451.17826 206.0
[M+H-H2O]+ 395.21236 195.4
[M+HCOO]- 457.21330 222.4
[M+CH3COO]- 471.22895 225.2
[M+Na-2H]- 433.18977 206.8
[M]+ 412.21455 209.0
[M]- 412.21565 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