CID 13482097

Brn 4612204

Structural Information

Molecular Formula
C21H24N6O6
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=C(C=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C21H24N6O6/c1-29-14-9-17(31-3)15(18(10-14)32-4)11-22-23-20(28)12-27-25-21(24-26-27)13-6-7-16(30-2)19(8-13)33-5/h6-11H,12H2,1-5H3,(H,23,28)/b22-11+
InChIKey
IIIUIQRRJBJMDE-SSDVNMTOSA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17572 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18300 205.8
[M+Na]+ 479.16494 213.2
[M-H]- 455.16844 213.0
[M+NH4]+ 474.20954 210.7
[M+K]+ 495.13888 210.8
[M+H-H2O]+ 439.17298 193.1
[M+HCOO]- 501.17392 228.2
[M+CH3COO]- 515.18957 239.8
[M+Na-2H]- 477.15039 207.0
[M]+ 456.17517 216.1
[M]- 456.17627 216.1
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.