CID 485268

G-p-g-r

Structural Information

Molecular Formula
C15H27N7O4
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C=O
InChI
InChI=1S/C15H27N7O4/c16-7-13(25)22-6-2-4-11(22)14(26)20-8-12(24)21-10(9-23)3-1-5-19-15(17)18/h9-11H,1-8,16H2,(H,20,26)(H,21,24)(H4,17,18,19)/t10-,11-/m0/s1
InChIKey
MTAOKQNJSHBRQN-QWRGUYRKSA-N
Compound name
(2S)-1-(2-aminoacetyl)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21246 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21974 184.6
[M+Na]+ 392.20168 183.2
[M-H]- 368.20518 185.7
[M+NH4]+ 387.24628 194.4
[M+K]+ 408.17562 183.7
[M+H-H2O]+ 352.20972 174.6
[M+HCOO]- 414.21066 206.2
[M+CH3COO]- 428.22631 232.8
[M+Na-2H]- 390.18713 180.1
[M]+ 369.21191 178.4
[M]- 369.21301 178.4
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.