CID 3918406

Anorexigenic peptide

Structural Information

Molecular Formula
C13H17N5O5
SMILES
C1CC(=O)NC1C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)O
InChI
InChI=1S/C13H17N5O5/c19-10-2-1-8(17-10)13(23)18-9(3-7-4-14-6-16-7)12(22)15-5-11(20)21/h4,6,8-9H,1-3,5H2,(H,14,16)(H,15,22)(H,17,19)(H,18,23)(H,20,21)
InChIKey
GVCTYSKUHKXJDZ-UHFFFAOYSA-N
Compound name
2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

290
Patents

323.12296 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13024 171.1
[M+Na]+ 346.11218 172.6
[M-H]- 322.11568 170.0
[M+NH4]+ 341.15678 180.8
[M+K]+ 362.08612 170.6
[M+H-H2O]+ 306.12022 162.2
[M+HCOO]- 368.12116 185.9
[M+CH3COO]- 382.13681 202.5
[M+Na-2H]- 344.09763 168.1
[M]+ 323.12241 165.1
[M]- 323.12351 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe