CID 3049963

Di-pa-dl-ornithine

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1=CC=C(C=C1)CC(=O)NCCC[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C21H24N2O4/c24-19(14-16-8-3-1-4-9-16)22-13-7-12-18(21(26)27)23-20(25)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
InChIKey
JGJMHIALPNDBOZ-SFHVURJKSA-N
Compound name
(2S)-2,5-bis[(2-phenylacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.5
[M+Na]+ 391.16282 190.1
[M-H]- 367.16632 193.2
[M+NH4]+ 386.20742 199.0
[M+K]+ 407.13676 186.8
[M+H-H2O]+ 351.17086 180.1
[M+HCOO]- 413.17180 209.4
[M+CH3COO]- 427.18745 218.7
[M+Na-2H]- 389.14827 189.5
[M]+ 368.17305 188.5
[M]- 368.17415 188.5
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.