CID 9623569

2-(3,4-dimethylphenoxy)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C19H20N6O2
SMILES
CC1=C(C=C(C=C1)OCC(=O)N/N=C(\C)/C2=CC(=CC=C2)N3C=NN=N3)C
InChI
InChI=1S/C19H20N6O2/c1-13-7-8-18(9-14(13)2)27-11-19(26)22-21-15(3)16-5-4-6-17(10-16)25-12-20-23-24-25/h4-10,12H,11H2,1-3H3,(H,22,26)/b21-15+
InChIKey
XNLXWZSVDKQCJR-RCCKNPSSSA-N
Compound name
2-(3,4-dimethylphenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16476 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 186.7
[M+Na]+ 387.15398 193.4
[M-H]- 363.15748 193.2
[M+NH4]+ 382.19858 195.0
[M+K]+ 403.12792 188.8
[M+H-H2O]+ 347.16202 174.4
[M+HCOO]- 409.16296 208.4
[M+CH3COO]- 423.17861 222.4
[M+Na-2H]- 385.13943 189.4
[M]+ 364.16421 189.3
[M]- 364.16531 189.3
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.