CID 63646

4(3h)-quinazolinone, 3-(1h-indol-3-ylmethyl)-2-methyl-

Structural Information

Molecular Formula
C18H15N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H15N3O/c1-12-20-17-9-5-3-7-15(17)18(22)21(12)11-13-10-19-16-8-4-2-6-14(13)16/h2-10,19H,11H2,1H3
InChIKey
FDNGYEHPOBXZAF-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-ylmethyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 167.8
[M+Na]+ 312.11074 179.8
[M-H]- 288.11424 172.2
[M+NH4]+ 307.15534 182.8
[M+K]+ 328.08468 171.9
[M+H-H2O]+ 272.11878 158.2
[M+HCOO]- 334.11972 187.2
[M+CH3COO]- 348.13537 179.5
[M+Na-2H]- 310.09619 174.1
[M]+ 289.12097 169.8
[M]- 289.12207 169.8
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.