CID 49770606

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

Structural Information

Molecular Formula
C22H18N4O3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C22H18N4O3/c1-24(2)16-13-11-15(12-14-16)22(27)25-20-10-6-4-8-18(20)23-21(25)17-7-3-5-9-19(17)26(28)29/h3-14H,1-2H3
InChIKey
SDGBURONQAPASS-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-[2-(2-nitrophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13788 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14516 190.6
[M+Na]+ 409.12710 197.0
[M-H]- 385.13060 200.8
[M+NH4]+ 404.17170 200.8
[M+K]+ 425.10104 188.2
[M+H-H2O]+ 369.13514 183.7
[M+HCOO]- 431.13608 214.1
[M+CH3COO]- 445.15173 220.1
[M+Na-2H]- 407.11255 195.9
[M]+ 386.13733 192.0
[M]- 386.13843 192.0
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.