CID 2393685

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

Structural Information

Molecular Formula
C17H21ClN4O4
SMILES
COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI
InChI=1S/C17H21ClN4O4/c1-26-9-5-8-21(13(23)10-18)14-15(19)22(17(25)20-16(14)24)11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,19H2,1H3,(H,20,24,25)
InChIKey
LLJXFNYPLBSFNK-UHFFFAOYSA-N
Compound name
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12512 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13240 186.3
[M+Na]+ 403.11434 194.0
[M-H]- 379.11784 190.2
[M+NH4]+ 398.15894 195.5
[M+K]+ 419.08828 188.9
[M+H-H2O]+ 363.12238 176.9
[M+HCOO]- 425.12332 203.2
[M+CH3COO]- 439.13897 221.7
[M+Na-2H]- 401.09979 187.3
[M]+ 380.12457 191.1
[M]- 380.12567 191.1
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.