CID 2366653

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

Structural Information

Molecular Formula
C16H19ClN4O4
SMILES
COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI
InChI=1S/C16H19ClN4O4/c1-25-8-7-20(12(22)9-17)13-14(18)21(16(24)19-15(13)23)10-11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H,19,23,24)
InChIKey
BQVDTQPFIIWUEA-UHFFFAOYSA-N
Compound name
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11678 181.7
[M+Na]+ 389.09872 193.6
[M+NH4]+ 384.14332 185.9
[M+K]+ 405.07266 188.5
[M-H]- 365.10222 183.4
[M+Na-2H]- 387.08417 187.1
[M]+ 366.10895 183.7
[M]- 366.11005 183.7
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.