CID 2393559

730949-94-7

Structural Information

Molecular Formula
C15H25ClN4O4
SMILES
CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCCCl)N
InChI
InChI=1S/C15H25ClN4O4/c1-10(2)9-20-13(17)12(14(22)18-15(20)23)19(7-8-24-3)11(21)5-4-6-16/h10H,4-9,17H2,1-3H3,(H,18,22,23)
InChIKey
TXWJZRSWRQHFJC-UHFFFAOYSA-N
Compound name
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methoxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15643 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16371 182.3
[M+Na]+ 383.14565 189.5
[M-H]- 359.14915 183.1
[M+NH4]+ 378.19025 193.0
[M+K]+ 399.11959 185.9
[M+H-H2O]+ 343.15369 174.6
[M+HCOO]- 405.15463 197.7
[M+CH3COO]- 419.17028 220.7
[M+Na-2H]- 381.13110 180.6
[M]+ 360.15588 188.2
[M]- 360.15698 188.2
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.