CID 3072191

1,2,3,5-tetrahydro-n-butyl-1-methyl-5-oxo-2-phenylimidazo(1,2-a)pyrimidine-6-carboxamide

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CCCCNC(=O)C1=CN=C2N(C(CN2C1=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H22N4O2/c1-3-4-10-19-16(23)14-11-20-18-21(2)15(12-22(18)17(14)24)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,19,23)
InChIKey
TXTWXYDAHOQPJT-UHFFFAOYSA-N
Compound name
N-butyl-1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.181576 178.9
[M+Na]+ 349.163518 186.8
[M-H]- 325.167024 182.7
[M+NH4]+ 344.208123 191.6
[M+K]+ 365.137458 181.5
[M+H-H2O]+ 309.171560 168.9
[M+HCOO]- 371.172501 197.8
[M+CH3COO]- 385.188151 212.3
[M+Na-2H]- 347.148966 180.6
[M]+ 326.17375142 180.6
[M]- 326.17484858 180.6
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.