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]+ 358.15502 186.6
[M+Na]+ 380.13696 198.1
[M-H]- 356.14046 196.3
[M+NH4]+ 375.18156 199.5
[M+K]+ 396.11090 190.7
[M+H-H2O]+ 340.14500 176.2
[M+HCOO]- 402.14594 210.3
[M+CH3COO]- 416.16159 198.3
[M+Na-2H]- 378.12241 189.9
[M]+ 357.14719 190.7
[M]- 357.14829 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.