CID 1101244

4-(2-hydroxy-1-naphthylmethyleneamino)antipyrine

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C22H19N3O2/c1-15-21(22(27)25(24(15)2)17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-14,26H,1-2H3
InChIKey
SFKAWDFUODXKKF-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.14774 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.155016 186.6
[M+Na]+ 380.136958 198.1
[M-H]- 356.140464 196.3
[M+NH4]+ 375.181563 199.5
[M+K]+ 396.110898 190.7
[M+H-H2O]+ 340.145000 176.2
[M+HCOO]- 402.145941 210.3
[M+CH3COO]- 416.161591 198.3
[M+Na-2H]- 378.122406 189.9
[M]+ 357.14719142 190.7
[M]- 357.14828858 190.7
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.