CID 59539

102571-44-8

Structural Information

Molecular Formula
C15H27N4O3
SMILES
CCCCN1C(=C(C(=O)N(C1=O)C)NC(=O)C[N+](C)(C)C)C
InChI
InChI=1S/C15H26N4O3/c1-7-8-9-18-11(2)13(14(21)17(3)15(18)22)16-12(20)10-19(4,5)6/h7-10H2,1-6H3/p+1
InChIKey
WLLNMLHMWCJOAW-UHFFFAOYSA-O
Compound name
[2-[(1-butyl-3,6-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2083 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21558 170.7
[M+Na]+ 334.19752 179.5
[M-H]- 310.20102 174.2
[M+NH4]+ 329.24212 184.0
[M+K]+ 350.17146 171.6
[M+H-H2O]+ 294.20556 165.8
[M+HCOO]- 356.20650 192.3
[M+CH3COO]- 370.22215 210.0
[M+Na-2H]- 332.18297 176.3
[M]+ 311.20775 175.1
[M]- 311.20885 175.1
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.