CID 3059831

77300-97-1

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1CCNC(C)C
InChI
InChI=1S/C15H21N3O/c1-4-14-17-13-8-6-5-7-12(13)15(19)18(14)10-9-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKey
JFTQRQVAUPOVCJ-UHFFFAOYSA-N
Compound name
2-ethyl-3-[2-(propan-2-ylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 161.9
[M+Na]+ 282.15768 170.1
[M-H]- 258.16118 163.8
[M+NH4]+ 277.20228 177.4
[M+K]+ 298.13162 165.9
[M+H-H2O]+ 242.16572 153.5
[M+HCOO]- 304.16666 182.1
[M+CH3COO]- 318.18231 202.6
[M+Na-2H]- 280.14313 167.2
[M]+ 259.16791 164.3
[M]- 259.16901 164.3
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.