CID 267259

Nsc106416

Structural Information

Molecular Formula
C15H26N6O8
SMILES
CCC(=O)OCNC(=O)NNC(=O)CCCC(=O)NNC(=O)NCOC(=O)CC
InChI
InChI=1S/C15H26N6O8/c1-3-12(24)28-8-16-14(26)20-18-10(22)6-5-7-11(23)19-21-15(27)17-9-29-13(25)4-2/h3-9H2,1-2H3,(H,18,22)(H,19,23)(H2,16,20,26)(H2,17,21,27)
InChIKey
DROGPEPAHQGAMP-UHFFFAOYSA-N
Compound name
[[[5-oxo-5-[2-(propanoyloxymethylcarbamoyl)hydrazinyl]pentanoyl]amino]carbamoylamino]methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1812 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18848 215.8
[M+Na]+ 441.17042 232.7
[M-H]- 417.17392 232.0
[M+NH4]+ 436.21502 222.9
[M+K]+ 457.14436 219.4
[M+H-H2O]+ 401.17846 215.5
[M+HCOO]- 463.17940 212.1
[M+CH3COO]- 477.19505 236.9
[M+Na-2H]- 439.15587 209.3
[M]+ 418.18065 202.6
[M]- 418.18175 202.6
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.