CID 6030035

2(4-cl-3,5-di-me-phenoxy)n'-(1-(4(1h-tetraazol-1-yl)ph)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C19H19ClN6O2
SMILES
CC1=CC(=CC(=C1Cl)C)OCC(=O)N/N=C(\C)/C2=CC=C(C=C2)N3C=NN=N3
InChI
InChI=1S/C19H19ClN6O2/c1-12-8-17(9-13(2)19(12)20)28-10-18(27)23-22-14(3)15-4-6-16(7-5-15)26-11-21-24-25-26/h4-9,11H,10H2,1-3H3,(H,23,27)/b22-14+
InChIKey
ODOKIFXJQNSKCJ-HYARGMPZSA-N
Compound name
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1258 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13308 192.3
[M+Na]+ 421.11502 205.8
[M+NH4]+ 416.15962 197.2
[M+K]+ 437.08896 201.0
[M-H]- 397.11852 196.2
[M+Na-2H]- 419.10047 200.5
[M]+ 398.12525 195.3
[M]- 398.12635 195.3
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.