CID 212268

2-(1h-tetrazol-5-ylmethoxy)-n-(3-(trifluoromethyl)phenyl)benzamide

Structural Information

Molecular Formula
C16H12F3N5O2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OCC3=NNN=N3
InChI
InChI=1S/C16H12F3N5O2/c17-16(18,19)10-4-3-5-11(8-10)20-15(25)12-6-1-2-7-13(12)26-9-14-21-23-24-22-14/h1-8H,9H2,(H,20,25)(H,21,22,23,24)
InChIKey
KBLGZOBSDDTURC-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-ylmethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10158 178.4
[M+Na]+ 386.08352 186.1
[M-H]- 362.08702 178.4
[M+NH4]+ 381.12812 185.6
[M+K]+ 402.05746 179.6
[M+H-H2O]+ 346.09156 164.9
[M+HCOO]- 408.09250 193.1
[M+CH3COO]- 422.10815 210.8
[M+Na-2H]- 384.06897 182.2
[M]+ 363.09375 174.3
[M]- 363.09485 174.3
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

No patent data available for this compound.