CID 49770603

(4-dimethylaminophenyl)-[2-(3-pyridyl)benzimidazol-1-yl]methanone

Structural Information

Molecular Formula
C21H18N4O
SMILES
CN(C)C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2C4=CN=CC=C4
InChI
InChI=1S/C21H18N4O/c1-24(2)17-11-9-15(10-12-17)21(26)25-19-8-4-3-7-18(19)23-20(25)16-6-5-13-22-14-16/h3-14H,1-2H3
InChIKey
RMWDAPGNJZMIPH-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-(2-pyridin-3-ylbenzimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14807 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 182.0
[M+Na]+ 365.13729 190.9
[M-H]- 341.14079 190.8
[M+NH4]+ 360.18189 193.8
[M+K]+ 381.11123 185.0
[M+H-H2O]+ 325.14533 170.4
[M+HCOO]- 387.14627 203.9
[M+CH3COO]- 401.16192 192.9
[M+Na-2H]- 363.12274 186.4
[M]+ 342.14752 184.9
[M]- 342.14862 184.9
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.