CID 4360950

65971-02-0

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1=CC=C(C=C1)NCC(CN2C=NC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H17N3O2/c21-14(10-18-13-6-2-1-3-7-13)11-20-12-19-16-9-5-4-8-15(16)17(20)22/h1-9,12,14,18,21H,10-11H2
InChIKey
JMLCKVXHAFJFDE-UHFFFAOYSA-N
Compound name
3-(3-anilino-2-hydroxypropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 167.3
[M+Na]+ 318.12130 174.2
[M-H]- 294.12480 170.6
[M+NH4]+ 313.16590 179.4
[M+K]+ 334.09524 168.6
[M+H-H2O]+ 278.12934 157.4
[M+HCOO]- 340.13028 186.7
[M+CH3COO]- 354.14593 177.3
[M+Na-2H]- 316.10675 174.6
[M]+ 295.13153 166.8
[M]- 295.13263 166.8
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.