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]+ 365.13750 183.8
[M+Na]+ 387.11944 191.5
[M-H]- 363.12294 187.9
[M+NH4]+ 382.16404 193.8
[M+K]+ 403.09338 186.2
[M+H-H2O]+ 347.12748 174.9
[M+HCOO]- 409.12842 199.6
[M+CH3COO]- 423.14407 220.4
[M+Na-2H]- 385.10489 183.6
[M]+ 364.12967 186.7
[M]- 364.13077 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.