CID 135402732

143707-89-5

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC=C3C(=O)N2)C
InChI
InChI=1S/C17H18N4O2/c1-3-11-8-14(17(23)19-10(11)2)18-9-15-20-13-7-5-4-6-12(13)16(22)21-15/h4-8,18H,3,9H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKey
WGMVLQBTABYLIV-UHFFFAOYSA-N
Compound name
2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.14297 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 174.6
[M+Na]+ 333.13219 184.5
[M-H]- 309.13569 176.4
[M+NH4]+ 328.17679 185.0
[M+K]+ 349.10613 176.7
[M+H-H2O]+ 293.14023 164.8
[M+HCOO]- 355.14117 192.2
[M+CH3COO]- 369.15682 184.3
[M+Na-2H]- 331.11764 180.2
[M]+ 310.14242 174.0
[M]- 310.14352 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.