CID 2453585

N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C14H15ClN4O3
SMILES
CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI
InChI=1S/C14H15ClN4O3/c1-18(10(20)7-15)11-12(16)19(14(22)17-13(11)21)8-9-5-3-2-4-6-9/h2-6H,7-8,16H2,1H3,(H,17,21,22)
InChIKey
WCAKBBYFRPKBQC-UHFFFAOYSA-N
Compound name
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08328 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09056 170.9
[M+Na]+ 345.07250 180.2
[M-H]- 321.07600 175.4
[M+NH4]+ 340.11710 182.7
[M+K]+ 361.04644 175.0
[M+H-H2O]+ 305.08054 162.4
[M+HCOO]- 367.08148 188.7
[M+CH3COO]- 381.09713 210.6
[M+Na-2H]- 343.05795 173.3
[M]+ 322.08273 173.3
[M]- 322.08383 173.3
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.