CID 135536816

Benzoic acid 4-[(3-methyl-2-pyrazoline-5-one-4-glydene)hydrazine](4-fluorophenyl)methylene]hydrazide

Structural Information

Molecular Formula
C18H15FN6O2
SMILES
CC1=C(C(=O)NN1)N=NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C18H15FN6O2/c1-11-16(18(27)25-21-11)23-22-15-8-4-13(5-9-15)17(26)24-20-10-12-2-6-14(19)7-3-12/h2-10H,1H3,(H,24,26)(H2,21,25,27)/b20-10+,23-22?
InChIKey
IPGSQLDMIPRFPF-ZJNRTYSPSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.12405 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13133 182.0
[M+Na]+ 389.11327 189.3
[M-H]- 365.11677 190.3
[M+NH4]+ 384.15787 192.6
[M+K]+ 405.08721 183.5
[M+H-H2O]+ 349.12131 170.0
[M+HCOO]- 411.12225 209.2
[M+CH3COO]- 425.13790 225.5
[M+Na-2H]- 387.09872 186.2
[M]+ 366.12350 180.6
[M]- 366.12460 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.