CID 6435486

3,5-dihydro-3-(3-(1h-benzimidazol-2-yl)phenyl)-2-methyl-5-(phenylmethylene)-4h-imidazol-4-one

Structural Information

Molecular Formula
C24H18N4O
SMILES
CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C24H18N4O/c1-16-25-22(14-17-8-3-2-4-9-17)24(29)28(16)19-11-7-10-18(15-19)23-26-20-12-5-6-13-21(20)27-23/h2-15H,1H3,(H,26,27)/b22-14-
InChIKey
FAEQRLYWTGUJNQ-HMAPJEAMSA-N
Compound name
(5Z)-3-[3-(1H-benzimidazol-2-yl)phenyl]-5-benzylidene-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14807 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15535 192.7
[M+Na]+ 401.13729 203.0
[M-H]- 377.14079 201.3
[M+NH4]+ 396.18189 202.5
[M+K]+ 417.11123 193.2
[M+H-H2O]+ 361.14533 181.1
[M+HCOO]- 423.14627 210.9
[M+CH3COO]- 437.16192 202.2
[M+Na-2H]- 399.12274 192.1
[M]+ 378.14752 192.3
[M]- 378.14862 192.3
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.