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]+ 217.133546 148.3
[M+Na]+ 239.115488 157.6
[M-H]- 215.118994 150.1
[M+NH4]+ 234.160093 165.6
[M+K]+ 255.089428 153.4
[M+H-H2O]+ 199.123530 140.2
[M+HCOO]- 261.124471 169.1
[M+CH3COO]- 275.140121 189.7
[M+Na-2H]- 237.100936 156.2
[M]+ 216.12572142 150.9
[M]- 216.12681858 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