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 210.9
[M+Na]+ 451.24682 217.2
[M-H]- 427.25032 216.2
[M+NH4]+ 446.29142 218.3
[M+K]+ 467.22076 208.9
[M+H-H2O]+ 411.25486 197.3
[M+HCOO]- 473.25580 222.6
[M+CH3COO]- 487.27145 217.5
[M+Na-2H]- 449.23227 209.7
[M]+ 428.25705 211.1
[M]- 428.25815 211.1
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