CID 9613353

2-f-n(2-((2(1-(3(1h-tetraazol-1-yl)ph)ethylidene)hydrazino)carbonyl)ph)benzamide

Structural Information

Molecular Formula
C23H18FN7O2
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2F)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H18FN7O2/c1-15(16-7-6-8-17(13-16)31-14-25-29-30-31)27-28-23(33)19-10-3-5-12-21(19)26-22(32)18-9-2-4-11-20(18)24/h2-14H,1H3,(H,26,32)(H,28,33)/b27-15+
InChIKey
HNMCYCGBPCWSPK-JFLMPSFJSA-N
Compound name
2-[(2-fluorobenzoyl)amino]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1506 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15788 201.3
[M+Na]+ 466.13982 206.4
[M-H]- 442.14332 209.5
[M+NH4]+ 461.18442 205.1
[M+K]+ 482.11376 200.0
[M+H-H2O]+ 426.14786 186.8
[M+HCOO]- 488.14880 221.9
[M+CH3COO]- 502.16445 208.6
[M+Na-2H]- 464.12527 204.1
[M]+ 443.15005 199.8
[M]- 443.15115 199.8
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.