CID 485271

P-g-r

Structural Information

Molecular Formula
C13H24N6O3
SMILES
C1C[C@H](NC1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C=O
InChI
InChI=1S/C13H24N6O3/c14-13(15)17-6-1-3-9(8-20)19-11(21)7-18-12(22)10-4-2-5-16-10/h8-10,16H,1-7H2,(H,18,22)(H,19,21)(H4,14,15,17)/t9-,10-/m0/s1
InChIKey
XGBIHGMXUVWTFD-UWVGGRQHSA-N
Compound name
(2S)-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

11
Patents

312.19098 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19826 171.7
[M+Na]+ 335.18020 170.7
[M-H]- 311.18370 171.6
[M+NH4]+ 330.22480 183.5
[M+K]+ 351.15414 169.9
[M+H-H2O]+ 295.18824 162.2
[M+HCOO]- 357.18918 192.7
[M+CH3COO]- 371.20483 216.4
[M+Na-2H]- 333.16565 169.5
[M]+ 312.19043 164.2
[M]- 312.19153 164.2
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.