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]+ 311.150246 174.6
[M+Na]+ 333.132188 184.5
[M-H]- 309.135694 176.4
[M+NH4]+ 328.176793 185.0
[M+K]+ 349.106128 176.7
[M+H-H2O]+ 293.140230 164.8
[M+HCOO]- 355.141171 192.2
[M+CH3COO]- 369.156821 184.3
[M+Na-2H]- 331.117636 180.2
[M]+ 310.14242142 174.0
[M]- 310.14351858 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.