CID 3055108

9h-imidazo(1,2-a)benzimidazole, 9-(2-(diethylamino)ethyl)-2-(p-methoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H26N4O/c1-4-24(5-2)14-15-25-20-8-6-7-9-21(20)26-16-19(23-22(25)26)17-10-12-18(27-3)13-11-17/h6-13,16H,4-5,14-15H2,1-3H3
InChIKey
LJJBSNKOALXSJR-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.21066 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 189.7
[M+Na]+ 385.19988 199.8
[M-H]- 361.20338 196.9
[M+NH4]+ 380.24448 204.6
[M+K]+ 401.17382 194.2
[M+H-H2O]+ 345.20792 179.4
[M+HCOO]- 407.20886 212.8
[M+CH3COO]- 421.22451 200.9
[M+Na-2H]- 383.18533 192.2
[M]+ 362.21011 198.4
[M]- 362.21121 198.4
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