CID 3072193

141234-24-4

Structural Information

Molecular Formula
C18H21ClN4O2
SMILES
CCCCNC(=O)C1=CN=C2N(C(CN2C1=O)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C18H21ClN4O2/c1-3-4-9-20-16(24)13-10-21-18-22(2)15(11-23(18)17(13)25)12-7-5-6-8-14(12)19/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKey
HCZNXSUBIGKUCI-UHFFFAOYSA-N
Compound name
N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14258 186.2
[M+Na]+ 383.12452 195.7
[M-H]- 359.12802 190.1
[M+NH4]+ 378.16912 198.6
[M+K]+ 399.09846 188.9
[M+H-H2O]+ 343.13256 176.7
[M+HCOO]- 405.13350 200.3
[M+CH3COO]- 419.14915 217.1
[M+Na-2H]- 381.10997 186.5
[M]+ 360.13475 190.3
[M]- 360.13585 190.3
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

No patent data available for this compound.