CID 212271

Brn 1185064

Structural Information

Molecular Formula
C17H14F3N5O2
SMILES
CC1=CC(=C(C=C1)OCC2=NNN=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N5O2/c1-10-5-6-14(27-9-15-22-24-25-23-15)13(7-10)16(26)21-12-4-2-3-11(8-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,26)(H,22,23,24,25)
InChIKey
SWEDNWIBEJJJKQ-UHFFFAOYSA-N
Compound name
5-methyl-2-(2H-tetrazol-5-ylmethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11723 184.0
[M+Na]+ 400.09917 192.2
[M-H]- 376.10267 184.3
[M+NH4]+ 395.14377 190.9
[M+K]+ 416.07311 185.5
[M+H-H2O]+ 360.10721 170.6
[M+HCOO]- 422.10815 198.3
[M+CH3COO]- 436.12380 215.0
[M+Na-2H]- 398.08462 186.4
[M]+ 377.10940 180.7
[M]- 377.11050 180.7
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.