CID 508394

2-pyrrolidinamine, n-[[4-[[5,6-dichloro-2-(4-piperidinyl)-1h-benzimidazol-1-yl]methyl]phenyl]methyl]-, (2r)-

Structural Information

Molecular Formula
C24H29Cl2N5
SMILES
C1CC(NC1)NCC2=CC=C(C=C2)CN3C4=CC(=C(C=C4N=C3C5CCNCC5)Cl)Cl
InChI
InChI=1S/C24H29Cl2N5/c25-19-12-21-22(13-20(19)26)31(24(30-21)18-7-10-27-11-8-18)15-17-5-3-16(4-6-17)14-29-23-2-1-9-28-23/h3-6,12-13,18,23,27-29H,1-2,7-11,14-15H2
InChIKey
ACLIHJSNOLLVPU-UHFFFAOYSA-N
Compound name
N-[[4-[(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)methyl]phenyl]methyl]pyrrolidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.18 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.18728 208.9
[M+Na]+ 480.16922 214.3
[M-H]- 456.17272 213.0
[M+NH4]+ 475.21382 215.8
[M+K]+ 496.14316 203.6
[M+H-H2O]+ 440.17726 196.5
[M+HCOO]- 502.17820 210.9
[M+CH3COO]- 516.19385 213.9
[M+Na-2H]- 478.15467 203.8
[M]+ 457.17945 204.5
[M]- 457.18055 204.5
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

No patent data available for this compound.