CID 2453625

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

Structural Information

Molecular Formula
C17H21ClN4O3
SMILES
CC(C)CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI
InChI=1S/C17H21ClN4O3/c1-11(2)9-21(13(23)8-18)14-15(19)22(17(25)20-16(14)24)10-12-6-4-3-5-7-12/h3-7,11H,8-10,19H2,1-2H3,(H,20,24,25)
InChIKey
UAMHQNSZPGCHTN-UHFFFAOYSA-N
Compound name
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.137496 183.8
[M+Na]+ 387.119438 191.5
[M-H]- 363.122944 187.9
[M+NH4]+ 382.164043 193.8
[M+K]+ 403.093378 186.2
[M+H-H2O]+ 347.127480 174.9
[M+HCOO]- 409.128421 199.6
[M+CH3COO]- 423.144071 220.4
[M+Na-2H]- 385.104886 183.6
[M]+ 364.12967142 186.7
[M]- 364.13076858 186.7
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.