CID 509003

Benzamide, n-[(1s)-5-amino-1-[[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]pentyl]-3,4-dichloro-

Structural Information

Molecular Formula
C26H32Cl4N4O2
SMILES
C1CN(CCC1CNC(=O)[C@H](CCCCN)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H32Cl4N4O2/c27-20-6-4-18(13-22(20)29)16-34-11-8-17(9-12-34)15-32-26(36)24(3-1-2-10-31)33-25(35)19-5-7-21(28)23(30)14-19/h4-7,13-14,17,24H,1-3,8-12,15-16,31H2,(H,32,36)(H,33,35)/t24-/m0/s1
InChIKey
BXTRNTLNWLFKLM-DEOSSOPVSA-N
Compound name
N-[(2S)-6-amino-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxohexan-2-yl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.1279 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.13518 230.3
[M+Na]+ 595.11712 232.5
[M-H]- 571.12062 232.8
[M+NH4]+ 590.16172 233.6
[M+K]+ 611.09106 225.1
[M+H-H2O]+ 555.12516 222.2
[M+HCOO]- 617.12610 227.0
[M+CH3COO]- 631.14175 255.2
[M+Na-2H]- 593.10257 222.7
[M]+ 572.12735 230.5
[M]- 572.12845 230.5
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.