CID 3025578

104186-18-7

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CC1=CC(=CC(=C1O)C)CN2N=C(N=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H18N4O2/c1-11-8-13(9-12(2)16(11)22)10-21-19-17(18-20-21)14-4-6-15(23-3)7-5-14/h4-9,22H,10H2,1-3H3
InChIKey
QLODQKPFNUJZPK-UHFFFAOYSA-N
Compound name
4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 174.4
[M+Na]+ 333.13219 184.9
[M-H]- 309.13569 178.9
[M+NH4]+ 328.17679 185.2
[M+K]+ 349.10613 179.1
[M+H-H2O]+ 293.14023 163.8
[M+HCOO]- 355.14117 193.3
[M+CH3COO]- 369.15682 185.2
[M+Na-2H]- 331.11764 176.2
[M]+ 310.14242 177.6
[M]- 310.14352 177.6
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