CID 13743

Carbubarb

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)CCOC(=O)N
InChI
InChI=1S/C11H17N3O5/c1-2-3-4-11(5-6-19-9(12)17)7(15)13-10(18)14-8(11)16/h2-6H2,1H3,(H2,12,17)(H2,13,14,15,16,18)
InChIKey
ZWGPHQZXAPWKOV-UHFFFAOYSA-N
Compound name
2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

271.11682 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 159.5
[M+Na]+ 294.10604 165.5
[M-H]- 270.10954 156.8
[M+NH4]+ 289.15064 173.2
[M+K]+ 310.07998 162.7
[M+H-H2O]+ 254.11408 153.3
[M+HCOO]- 316.11502 174.6
[M+CH3COO]- 330.13067 194.2
[M+Na-2H]- 292.09149 160.6
[M]+ 271.11627 156.8
[M]- 271.11737 156.8
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