CID 13482093

Brn 4584579

Structural Information

Molecular Formula
C18H17ClN6O3
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C18H17ClN6O3/c1-27-15-7-6-13(9-16(15)28-2)18-22-24-25(23-18)11-17(26)21-20-10-12-4-3-5-14(19)8-12/h3-10H,11H2,1-2H3,(H,21,26)/b20-10+
InChIKey
FZEMPEJNFOENSO-KEBDBYFISA-N
Compound name
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.10507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11235 191.7
[M+Na]+ 423.09429 200.4
[M-H]- 399.09779 198.2
[M+NH4]+ 418.13889 199.7
[M+K]+ 439.06823 194.8
[M+H-H2O]+ 383.10233 179.5
[M+HCOO]- 445.10327 210.1
[M+CH3COO]- 459.11892 225.4
[M+Na-2H]- 421.07974 194.7
[M]+ 400.10452 198.3
[M]- 400.10562 198.3
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.