CID 47618

Di-pa-dl-lysine

Structural Information

Molecular Formula
C22H26N2O4
SMILES
C1=CC=C(C=C1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c25-20(15-17-9-3-1-4-10-17)23-14-8-7-13-19(22(27)28)24-21(26)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,23,25)(H,24,26)(H,27,28)/t19-/m0/s1
InChIKey
DYRIPFNDRNJQON-IBGZPJMESA-N
Compound name
(2S)-2,6-bis[(2-phenylacetyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 194.0
[M+Na]+ 405.17849 194.1
[M-H]- 381.18199 197.4
[M+NH4]+ 400.22309 202.9
[M+K]+ 421.15243 190.5
[M+H-H2O]+ 365.18653 184.3
[M+HCOO]- 427.18747 213.5
[M+CH3COO]- 441.20312 221.6
[M+Na-2H]- 403.16394 193.4
[M]+ 382.18872 193.3
[M]- 382.18982 193.3
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.