CID 53446783

Dtxsid90703356

Structural Information

Molecular Formula
C21H20N4O2
SMILES
COC1=CC=C(C=C1)N2NC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O2/c1-26-19-12-8-17(9-13-19)24-22-21(16-6-4-3-5-7-16)23-25(24)18-10-14-20(27-2)15-11-18/h3-15H,1-2H3,(H,22,23)
InChIKey
QFJLXIHXUKNDFU-UHFFFAOYSA-N
Compound name
2,3-bis(4-methoxyphenyl)-5-phenyl-1H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

360.15863 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 186.9
[M+Na]+ 383.14785 194.6
[M-H]- 359.15135 193.4
[M+NH4]+ 378.19245 194.3
[M+K]+ 399.12179 187.5
[M+H-H2O]+ 343.15589 174.2
[M+HCOO]- 405.15683 203.9
[M+CH3COO]- 419.17248 195.7
[M+Na-2H]- 381.13330 188.5
[M]+ 360.15808 186.6
[M]- 360.15918 186.6
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