CID 914517

9h-imidazo(1,2-a)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate

Structural Information

Molecular Formula
C21H24N4
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25-16-18(22-21(24)25)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3
InChIKey
HMPKOXQVGWHRCO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

332.2001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.207376 181.4
[M+Na]+ 355.189318 191.3
[M-H]- 331.192824 188.3
[M+NH4]+ 350.233923 197.4
[M+K]+ 371.163258 185.2
[M+H-H2O]+ 315.197360 171.1
[M+HCOO]- 377.198301 204.8
[M+CH3COO]- 391.213951 192.9
[M+Na-2H]- 353.174766 185.1
[M]+ 332.19955142 188.0
[M]- 332.20064858 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe