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 193.9
[M+Na]+ 421.11502 202.1
[M-H]- 397.11852 200.4
[M+NH4]+ 416.15962 202.0
[M+K]+ 437.08896 196.1
[M+H-H2O]+ 381.12306 181.9
[M+HCOO]- 443.12400 210.9
[M+CH3COO]- 457.13965 227.0
[M+Na-2H]- 419.10047 195.2
[M]+ 398.12525 199.0
[M]- 398.12635 199.0
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.