CID 466085

Diethyl-{2-[2-(4-nitro-phenyl)-vinyl]-benzoimidazol-1-ylmethyl}-amine

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O2/c1-3-22(4-2)15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(13-10-16)24(25)26/h5-14H,3-4,15H2,1-2H3
InChIKey
YBEQXQFBHAFHTA-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[2-[2-(4-nitrophenyl)ethenyl]benzimidazol-1-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 185.1
[M+Na]+ 373.16352 191.3
[M-H]- 349.16702 191.5
[M+NH4]+ 368.20812 197.6
[M+K]+ 389.13746 182.2
[M+H-H2O]+ 333.17156 179.2
[M+HCOO]- 395.17250 209.2
[M+CH3COO]- 409.18815 214.1
[M+Na-2H]- 371.14897 190.6
[M]+ 350.17375 187.4
[M]- 350.17485 187.4
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.