CID 9644385

3-((3,4-di-me-phenoxy)me)n'-(1-(3(1h-tetraazol-1-yl)ph)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C25H24N6O2
SMILES
CC1=C(C=C(C=C1)OCC2=CC(=CC=C2)C(=O)N/N=C(\C)/C3=CC(=CC=C3)N4C=NN=N4)C
InChI
InChI=1S/C25H24N6O2/c1-17-10-11-24(12-18(17)2)33-15-20-6-4-8-22(13-20)25(32)28-27-19(3)21-7-5-9-23(14-21)31-16-26-29-30-31/h4-14,16H,15H2,1-3H3,(H,28,32)/b27-19+
InChIKey
DPWAOTKQNHDYHV-ZXVVBBHZSA-N
Compound name
3-[(3,4-dimethylphenoxy)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

440.19608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20336 207.2
[M+Na]+ 463.18530 213.1
[M-H]- 439.18880 216.5
[M+NH4]+ 458.22990 211.9
[M+K]+ 479.15924 206.6
[M+H-H2O]+ 423.19334 193.3
[M+HCOO]- 485.19428 227.7
[M+CH3COO]- 499.20993 215.0
[M+Na-2H]- 461.17075 208.5
[M]+ 440.19553 209.4
[M]- 440.19663 209.4
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.