CID 3062221

1h-naphth(1,2-d)imidazole, 2-(2-(4-(3-methoxyphenyl)-1-piperazinyl)ethyl)-1-(1-methyethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Structural Information

Molecular Formula
C27H32N4O
SMILES
CC(C)N1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC(=CC=C5)OC
InChI
InChI=1S/C27H32N4O/c1-20(2)31-26(28-25-12-11-21-7-4-5-10-24(21)27(25)31)13-14-29-15-17-30(18-16-29)22-8-6-9-23(19-22)32-3/h4-12,19-20H,13-18H2,1-3H3
InChIKey
SXWQMJJBWPDJFC-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-1-propan-2-ylbenzo[e]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

428.2576 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.26488 209.9
[M+Na]+ 451.24682 226.2
[M+NH4]+ 446.29142 217.5
[M+K]+ 467.22076 218.0
[M-H]- 427.25032 215.8
[M+Na-2H]- 449.23227 217.2
[M]+ 428.25705 214.1
[M]- 428.25815 214.1
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

patents stripe