CID 2453603

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

Structural Information

Molecular Formula
C16H19ClN4O3
SMILES
CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCl
InChI
InChI=1S/C16H19ClN4O3/c1-2-8-20(12(22)9-17)13-14(18)21(16(24)19-15(13)23)10-11-6-4-3-5-7-11/h3-7H,2,8-10,18H2,1H3,(H,19,23,24)
InChIKey
AVPGUVNTCVPAPH-UHFFFAOYSA-N
Compound name
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.11456 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12184 179.8
[M+Na]+ 373.10378 188.2
[M-H]- 349.10728 183.9
[M+NH4]+ 368.14838 190.4
[M+K]+ 389.07772 182.6
[M+H-H2O]+ 333.11182 170.9
[M+HCOO]- 395.11276 196.9
[M+CH3COO]- 409.12841 216.5
[M+Na-2H]- 371.08923 181.2
[M]+ 350.11401 182.9
[M]- 350.11511 182.9
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.