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]+ 296.139356 167.3
[M+Na]+ 318.121298 174.2
[M-H]- 294.124804 170.6
[M+NH4]+ 313.165903 179.4
[M+K]+ 334.095238 168.6
[M+H-H2O]+ 278.129340 157.4
[M+HCOO]- 340.130281 186.7
[M+CH3COO]- 354.145931 177.3
[M+Na-2H]- 316.106746 174.6
[M]+ 295.13153142 166.8
[M]- 295.13262858 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.