CID 13482094

Brn 4584437

Structural Information

Molecular Formula
C18H18N6O4
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=CC(=CC=C3)O)OC
InChI
InChI=1S/C18H18N6O4/c1-27-15-7-6-13(9-16(15)28-2)18-21-23-24(22-18)11-17(26)20-19-10-12-4-3-5-14(25)8-12/h3-10,25H,11H2,1-2H3,(H,20,26)/b19-10+
InChIKey
SDJLPTBKDHHYSJ-VXLYETTFSA-N
Compound name
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.13895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14623 187.4
[M+Na]+ 405.12817 194.7
[M-H]- 381.13167 193.1
[M+NH4]+ 400.17277 194.4
[M+K]+ 421.10211 190.5
[M+H-H2O]+ 365.13621 175.4
[M+HCOO]- 427.13715 209.2
[M+CH3COO]- 441.15280 222.0
[M+Na-2H]- 403.11362 190.8
[M]+ 382.13840 191.5
[M]- 382.13950 191.5
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.