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]+ 260.175736 161.9
[M+Na]+ 282.157678 170.1
[M-H]- 258.161184 163.8
[M+NH4]+ 277.202283 177.4
[M+K]+ 298.131618 165.9
[M+H-H2O]+ 242.165720 153.5
[M+HCOO]- 304.166661 182.1
[M+CH3COO]- 318.182311 202.6
[M+Na-2H]- 280.143126 167.2
[M]+ 259.16791142 164.3
[M]- 259.16900858 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.