CID 212505

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

Structural Information

Molecular Formula
C19H18N4O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N4O4/c1-13-18(19(25)22(21(13)2)15-6-4-3-5-7-15)20-12-17(24)14-8-10-16(11-9-14)23(26)27/h3-11,20H,12H2,1-2H3
InChIKey
VPBHSXIEYTVXPX-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.140076 184.4
[M+Na]+ 389.122018 191.0
[M-H]- 365.125524 192.7
[M+NH4]+ 384.166623 194.3
[M+K]+ 405.095958 182.2
[M+H-H2O]+ 349.130060 178.5
[M+HCOO]- 411.131001 208.0
[M+CH3COO]- 425.146651 213.5
[M+Na-2H]- 387.107466 187.7
[M]+ 366.13225142 184.7
[M]- 366.13334858 184.7
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.