CID 3025579

Brn 4554708

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C18H20N4O3/c1-11-7-13(8-12(2)17(11)23)10-22-20-18(19-21-22)14-5-6-15(24-3)16(9-14)25-4/h5-9,23H,10H2,1-4H3
InChIKey
RYAQNNATFZKOMC-UHFFFAOYSA-N
Compound name
4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.160806 182.1
[M+Na]+ 363.142748 192.7
[M-H]- 339.146254 186.8
[M+NH4]+ 358.187353 191.7
[M+K]+ 379.116688 187.4
[M+H-H2O]+ 323.150790 171.3
[M+HCOO]- 385.151731 200.7
[M+CH3COO]- 399.167381 211.5
[M+Na-2H]- 361.128196 182.6
[M]+ 340.15298142 187.3
[M]- 340.15407858 187.3
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

patents stripe