CID 3075302

4h-pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-3-phenyl-4-(2-(1-piperidinyl)ethyl)-, dihydrobromide

Structural Information

Molecular Formula
C27H33N3
SMILES
CC(C)(C)C1=CN2C3=CC=CC=C3N(C2=C1C4=CC=CC=C4)CCN5CCCCC5
InChI
InChI=1S/C27H33N3/c1-27(2,3)22-20-30-24-15-9-8-14-23(24)29(19-18-28-16-10-5-11-17-28)26(30)25(22)21-12-6-4-7-13-21/h4,6-9,12-15,20H,5,10-11,16-19H2,1-3H3
InChIKey
XSZZZJISTFRFOK-UHFFFAOYSA-N
Compound name
2-tert-butyl-3-phenyl-4-(2-piperidin-1-ylethyl)pyrrolo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.26746 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.27474 204.5
[M+Na]+ 422.25668 211.9
[M-H]- 398.26018 212.1
[M+NH4]+ 417.30128 216.9
[M+K]+ 438.23062 203.8
[M+H-H2O]+ 382.26472 193.5
[M+HCOO]- 444.26566 219.4
[M+CH3COO]- 458.28131 213.0
[M+Na-2H]- 420.24213 203.7
[M]+ 399.26691 205.2
[M]- 399.26801 205.2
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.