CID 3916228

120928-08-7

Structural Information

Molecular Formula
C13H24N4O4
SMILES
CC(C)CC(C(=O)NCC(=O)NO)NC(=O)C1CCCN1
InChI
InChI=1S/C13H24N4O4/c1-8(2)6-10(12(19)15-7-11(18)17-21)16-13(20)9-4-3-5-14-9/h8-10,14,21H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKey
WFURCOXZZPMXOC-UHFFFAOYSA-N
Compound name
N-[1-[[2-(hydroxyamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

300.17975 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.18703 172.5
[M+Na]+ 323.16897 171.8
[M-H]- 299.17247 170.7
[M+NH4]+ 318.21357 184.6
[M+K]+ 339.14291 171.2
[M+H-H2O]+ 283.17701 164.5
[M+HCOO]- 345.17795 188.7
[M+CH3COO]- 359.19360 205.8
[M+Na-2H]- 321.15442 169.0
[M]+ 300.17920 166.2
[M]- 300.18030 166.2
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

patents stripe