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]+ 367.14008 184.4
[M+Na]+ 389.12202 191.0
[M-H]- 365.12552 192.7
[M+NH4]+ 384.16662 194.3
[M+K]+ 405.09596 182.2
[M+H-H2O]+ 349.13006 178.5
[M+HCOO]- 411.13100 208.0
[M+CH3COO]- 425.14665 213.5
[M+Na-2H]- 387.10747 187.7
[M]+ 366.13225 184.7
[M]- 366.13335 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.