CID 3058365

75159-40-9

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCN(CC)CN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H17N3O/c1-3-15(4-2)10-16-9-14-12-8-6-5-7-11(12)13(16)17/h5-9H,3-4,10H2,1-2H3
InChIKey
PQWOUGYQWNQVSI-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.1
[M+Na]+ 254.12638 160.6
[M-H]- 230.12988 155.3
[M+NH4]+ 249.17098 169.1
[M+K]+ 270.10032 157.7
[M+H-H2O]+ 214.13442 143.4
[M+HCOO]- 276.13536 174.5
[M+CH3COO]- 290.15101 198.0
[M+Na-2H]- 252.11183 159.7
[M]+ 231.13661 155.2
[M]- 231.13771 155.2
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.