CID 9571387

Nsc651697

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N4O2/c1-14-17(13-20-21-18(24)15-9-5-3-6-10-15)19(25)23(22(14)2)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,24)/b20-13+
InChIKey
KWWDQDXKNRLKAV-DEDYPNTBSA-N
Compound name
N-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 178.8
[M+Na]+ 357.13219 187.2
[M-H]- 333.13569 188.3
[M+NH4]+ 352.17679 191.6
[M+K]+ 373.10613 182.0
[M+H-H2O]+ 317.14023 168.2
[M+HCOO]- 379.14117 204.5
[M+CH3COO]- 393.15682 216.5
[M+Na-2H]- 355.11764 181.5
[M]+ 334.14242 180.8
[M]- 334.14352 180.8
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.