CID 135705537

127662-44-6

Structural Information

Molecular Formula
C26H21N3O2
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NC(=C3O)/C=C\4/C=C5C=CC=CC5=N4)C
InChI
InChI=1S/C26H21N3O2/c1-17-7-11-22(12-8-17)31-23-13-9-21(10-14-23)29-18(2)27-25(26(29)30)16-20-15-19-5-3-4-6-24(19)28-20/h3-16,30H,1-2H3/b20-16-
InChIKey
BRFKAVNFGGRJFL-SILNSSARSA-N
Compound name
5-[(Z)-indol-2-ylidenemethyl]-2-methyl-3-[4-(4-methylphenoxy)phenyl]imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1634 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17068 200.4
[M+Na]+ 430.15262 211.1
[M-H]- 406.15612 210.9
[M+NH4]+ 425.19722 210.8
[M+K]+ 446.12656 202.5
[M+H-H2O]+ 390.16066 189.4
[M+HCOO]- 452.16160 220.7
[M+CH3COO]- 466.17725 210.5
[M+Na-2H]- 428.13807 199.4
[M]+ 407.16285 204.0
[M]- 407.16395 204.0
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

No patent data available for this compound.