CID 3043978

N6-benzoyl-n2-(p-chlorobenzoyl)lysine

Structural Information

Molecular Formula
C20H21ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H21ClN2O4/c21-16-11-9-15(10-12-16)19(25)23-17(20(26)27)8-4-5-13-22-18(24)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
GWPCFHNEXYSTNQ-KRWDZBQOSA-N
Compound name
(2S)-6-benzamido-2-[(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]+ 389.12628 190.7
[M+Na]+ 411.10822 193.6
[M-H]- 387.11172 195.0
[M+NH4]+ 406.15282 200.8
[M+K]+ 427.08216 188.7
[M+H-H2O]+ 371.11626 182.7
[M+HCOO]- 433.11720 206.6
[M+CH3COO]- 447.13285 220.5
[M+Na-2H]- 409.09367 190.2
[M]+ 388.11845 192.4
[M]- 388.11955 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.