CID 212504

Antipyrine, 4-((p-chlorophenacylidene)amino)-

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClN3O2/c1-13-18(21-12-17(24)14-8-10-15(20)11-9-14)19(25)23(22(13)2)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3
InChIKey
ZQNUZPSLGCRQCR-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 183.3
[M+Na]+ 378.09798 193.3
[M-H]- 354.10148 191.3
[M+NH4]+ 373.14258 196.0
[M+K]+ 394.07192 186.3
[M+H-H2O]+ 338.10602 173.7
[M+HCOO]- 400.10696 201.4
[M+CH3COO]- 414.12261 215.9
[M+Na-2H]- 376.08343 183.5
[M]+ 355.10821 187.6
[M]- 355.10931 187.6
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.