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

0
Patents

340.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 182.1
[M+Na]+ 363.14275 192.7
[M-H]- 339.14625 186.8
[M+NH4]+ 358.18735 191.7
[M+K]+ 379.11669 187.4
[M+H-H2O]+ 323.15079 171.3
[M+HCOO]- 385.15173 200.7
[M+CH3COO]- 399.16738 211.5
[M+Na-2H]- 361.12820 182.6
[M]+ 340.15298 187.3
[M]- 340.15408 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