CID 3043977

N2-benzoyl-n6-(p-chlorobenzoyl)lysine

Structural Information

Molecular Formula
C20H21ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C20H21ClN2O4/c21-16-11-9-15(10-12-16)18(24)22-13-5-4-8-17(20(26)27)23-19(25)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,22,24)(H,23,25)(H,26,27)/t17-/m0/s1
InChIKey
INGVNTMKLVYFEH-KRWDZBQOSA-N
Compound name
(2S)-2-benzamido-6-[(4-chlorobenzoyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.119 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.126276 190.7
[M+Na]+ 411.108218 193.6
[M-H]- 387.111724 195.0
[M+NH4]+ 406.152823 200.8
[M+K]+ 427.082158 188.7
[M+H-H2O]+ 371.116260 182.7
[M+HCOO]- 433.117201 206.6
[M+CH3COO]- 447.132851 220.5
[M+Na-2H]- 409.093666 190.2
[M]+ 388.11845142 192.4
[M]- 388.11954858 192.4
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.