CID 334489

Nsc339877

Structural Information

Molecular Formula
C17H15N3O
SMILES
CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C17H15N3O/c1-20-10-13(11-6-3-5-9-15(11)20)16-18-14-8-4-2-7-12(14)17(21)19-16/h2-10,16,18H,1H3,(H,19,21)
InChIKey
GQSQKIVHIQRRJM-UHFFFAOYSA-N
Compound name
2-(1-methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

277.12152 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 164.9
[M+Na]+ 300.11074 174.9
[M-H]- 276.11424 167.4
[M+NH4]+ 295.15534 179.5
[M+K]+ 316.08468 166.8
[M+H-H2O]+ 260.11878 155.8
[M+HCOO]- 322.11972 180.4
[M+CH3COO]- 336.13537 175.3
[M+Na-2H]- 298.09619 169.4
[M]+ 277.12097 162.1
[M]- 277.12207 162.1
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

No patent data available for this compound.