CID 9651283

3-((4-chlorophenoxy)me)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C23H19ClN6O2
SMILES
C/C(=N\NC(=O)C1=CC=CC(=C1)COC2=CC=C(C=C2)Cl)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H19ClN6O2/c1-16(18-5-3-7-21(13-18)30-15-25-28-29-30)26-27-23(31)19-6-2-4-17(12-19)14-32-22-10-8-20(24)9-11-22/h2-13,15H,14H2,1H3,(H,27,31)/b26-16+
InChIKey
FSZZFQBCVYGPIF-WGOQTCKBSA-N
Compound name
3-[(4-chlorophenoxy)methyl]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1258 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13308 203.7
[M+Na]+ 469.11502 210.2
[M-H]- 445.11852 212.5
[M+NH4]+ 464.15962 208.7
[M+K]+ 485.08896 203.0
[M+H-H2O]+ 429.12306 189.8
[M+HCOO]- 491.12400 220.2
[M+CH3COO]- 505.13965 211.6
[M+Na-2H]- 467.10047 206.3
[M]+ 446.12525 207.2
[M]- 446.12635 207.2
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.