CID 13482095

Brn 4593602

Structural Information

Molecular Formula
C19H20N6O4
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=CC=CC=C3OC)OC
InChI
InChI=1S/C19H20N6O4/c1-27-15-7-5-4-6-14(15)11-20-21-18(26)12-25-23-19(22-24-25)13-8-9-16(28-2)17(10-13)29-3/h4-11H,12H2,1-3H3,(H,21,26)/b20-11+
InChIKey
GVKMHYUTMIWJFQ-RGVLZGJSSA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1546 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16188 191.7
[M+Na]+ 419.14382 199.0
[M-H]- 395.14732 198.5
[M+NH4]+ 414.18842 198.9
[M+K]+ 435.11776 195.3
[M+H-H2O]+ 379.15186 179.1
[M+HCOO]- 441.15280 214.7
[M+CH3COO]- 455.16845 227.1
[M+Na-2H]- 417.12927 195.0
[M]+ 396.15405 197.9
[M]- 396.15515 197.9
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.