CID 5360754

Brn 1227253

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CC1=CC(=C(C=C1)OCC2=NNN=N2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H15N5O2/c1-11-7-8-14(23-10-15-18-20-21-19-15)13(9-11)16(22)17-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKey
GRFCIQCMXDWHPA-UHFFFAOYSA-N
Compound name
5-methyl-N-phenyl-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1226 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 171.3
[M+Na]+ 332.11182 184.4
[M+NH4]+ 327.15642 176.7
[M+K]+ 348.08576 180.3
[M-H]- 308.11532 174.3
[M+Na-2H]- 330.09727 180.2
[M]+ 309.12205 173.7
[M]- 309.12315 173.7
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

patents stripe