CID 63826

71476-90-9

Structural Information

Molecular Formula
C22H19N3O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N(CC3=CC(=C(C=C3)O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O3/c1-15-23-19-10-6-5-9-18(19)22(28)25(15)24(17-7-3-2-4-8-17)14-16-11-12-20(26)21(27)13-16/h2-13,26-27H,14H2,1H3
InChIKey
ZYJICCNNKICDJJ-UHFFFAOYSA-N
Compound name
3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 189.4
[M+Na]+ 396.13186 197.7
[M-H]- 372.13536 196.6
[M+NH4]+ 391.17646 198.2
[M+K]+ 412.10580 191.5
[M+H-H2O]+ 356.13990 177.9
[M+HCOO]- 418.14084 208.2
[M+CH3COO]- 432.15649 198.8
[M+Na-2H]- 394.11731 194.2
[M]+ 373.14209 190.4
[M]- 373.14319 190.4
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.