CID 64027

4(3h)-quinazolinone, 3-furfuryl-2-methyl-

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3
InChI
InChI=1S/C14H12N2O2/c1-10-15-13-7-3-2-6-12(13)14(17)16(10)9-11-5-4-8-18-11/h2-8H,9H2,1H3
InChIKey
BTDIUAJMSNMMKD-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

240.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 150.8
[M+Na]+ 263.07909 163.0
[M-H]- 239.08259 157.7
[M+NH4]+ 258.12369 167.6
[M+K]+ 279.05303 159.4
[M+H-H2O]+ 223.08713 142.6
[M+HCOO]- 285.08807 174.2
[M+CH3COO]- 299.10372 164.9
[M+Na-2H]- 261.06454 158.4
[M]+ 240.08932 155.8
[M]- 240.09042 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe