CID 361707

Nsc624948

Structural Information

Molecular Formula
C18H19ClN4O4
SMILES
C1CCC(CC1)NC(=O)C2=C(C(=O)NC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN4O4/c19-11-8-6-10(7-9-11)15(24)21-13-14(22-18(27)23-17(13)26)16(25)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,25)(H,21,24)(H2,22,23,26,27)
InChIKey
FEWQWUFOYTYZAO-UHFFFAOYSA-N
Compound name
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11678 187.1
[M+Na]+ 413.09872 192.1
[M-H]- 389.10222 191.2
[M+NH4]+ 408.14332 193.9
[M+K]+ 429.07266 185.3
[M+H-H2O]+ 373.10676 177.6
[M+HCOO]- 435.10770 198.6
[M+CH3COO]- 449.12335 217.1
[M+Na-2H]- 411.08417 187.7
[M]+ 390.10895 182.3
[M]- 390.11005 182.3
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

patents stripe