CID 9571389

Nsc651699

Structural Information

Molecular Formula
C19H17ClN4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN4O2/c1-13-17(12-21-22-18(25)14-8-10-15(20)11-9-14)19(26)24(23(13)2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,25)/b21-12+
InChIKey
ZFTUJVILWGKJFN-CIAFOILYSA-N
Compound name
4-chloro-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

368.104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11128 187.5
[M+Na]+ 391.09322 197.5
[M-H]- 367.09672 197.0
[M+NH4]+ 386.13782 200.1
[M+K]+ 407.06716 190.7
[M+H-H2O]+ 351.10126 177.4
[M+HCOO]- 413.10220 208.4
[M+CH3COO]- 427.11785 221.3
[M+Na-2H]- 389.07867 188.7
[M]+ 368.10345 192.2
[M]- 368.10455 192.2
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.