CID 212273

Brn 1228071

Structural Information

Molecular Formula
C15H12ClN5O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OCC3=NNN=N3
InChI
InChI=1S/C15H12ClN5O2/c16-10-6-7-13(23-9-14-18-20-21-19-14)12(8-10)15(22)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKey
BMFGCMYYCNZWGQ-UHFFFAOYSA-N
Compound name
5-chloro-N-phenyl-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.06796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07524 171.3
[M+Na]+ 352.05718 179.5
[M-H]- 328.06068 174.8
[M+NH4]+ 347.10178 180.7
[M+K]+ 368.03112 172.8
[M+H-H2O]+ 312.06522 160.1
[M+HCOO]- 374.06616 186.4
[M+CH3COO]- 388.08181 180.9
[M+Na-2H]- 350.04263 175.8
[M]+ 329.06741 172.6
[M]- 329.06851 172.6
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