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]+ 327.18158 178.9
[M+Na]+ 349.16352 186.8
[M-H]- 325.16702 182.7
[M+NH4]+ 344.20812 191.6
[M+K]+ 365.13746 181.5
[M+H-H2O]+ 309.17156 168.9
[M+HCOO]- 371.17250 197.8
[M+CH3COO]- 385.18815 212.3
[M+Na-2H]- 347.14897 180.6
[M]+ 326.17375 180.6
[M]- 326.17485 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.