CID 13482096

Brn 4595067

Structural Information

Molecular Formula
C19H20N6O5
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C19H20N6O5/c1-28-15-6-4-12(8-14(15)26)10-20-21-18(27)11-25-23-19(22-24-25)13-5-7-16(29-2)17(9-13)30-3/h4-10,26H,11H2,1-3H3,(H,21,27)/b20-10+
InChIKey
HPEHAKGEOONIMA-KEBDBYFISA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1495 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15678 194.6
[M+Na]+ 435.13872 202.0
[M-H]- 411.14222 200.5
[M+NH4]+ 430.18332 200.6
[M+K]+ 451.11266 198.4
[M+H-H2O]+ 395.14676 182.5
[M+HCOO]- 457.14770 216.2
[M+CH3COO]- 471.16335 228.4
[M+Na-2H]- 433.12417 197.0
[M]+ 412.14895 200.8
[M]- 412.15005 200.8
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.