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]+ 290.128796 167.8
[M+Na]+ 312.110738 179.8
[M-H]- 288.114244 172.2
[M+NH4]+ 307.155343 182.8
[M+K]+ 328.084678 171.9
[M+H-H2O]+ 272.118780 158.2
[M+HCOO]- 334.119721 187.2
[M+CH3COO]- 348.135371 179.5
[M+Na-2H]- 310.096186 174.1
[M]+ 289.12097142 169.8
[M]- 289.12206858 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.