CID 63397

4(3h)-quinazolinone, 3-pentyl-

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCCCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H16N2O/c1-2-3-6-9-15-10-14-12-8-5-4-7-11(12)13(15)16/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKey
NWGZMFRPINJEAC-UHFFFAOYSA-N
Compound name
3-pentylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

216.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.3
[M+Na]+ 239.11549 157.6
[M-H]- 215.11899 150.1
[M+NH4]+ 234.16009 165.6
[M+K]+ 255.08943 153.4
[M+H-H2O]+ 199.12353 140.2
[M+HCOO]- 261.12447 169.1
[M+CH3COO]- 275.14012 189.7
[M+Na-2H]- 237.10094 156.2
[M]+ 216.12572 150.9
[M]- 216.12682 150.9
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

patents stripe