CID 212265

24023-94-7

Structural Information

Molecular Formula
C16H14ClN5O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)OCC3=NNN=N3
InChI
InChI=1S/C16H14ClN5O2/c1-10-2-5-12(6-3-10)18-16(23)13-8-11(17)4-7-14(13)24-9-15-19-21-22-20-15/h2-8H,9H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKey
FLGUMSWYIBOVOS-UHFFFAOYSA-N
Compound name
5-chloro-N-(4-methylphenyl)-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0836 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09088 176.8
[M+Na]+ 366.07282 185.4
[M-H]- 342.07632 180.5
[M+NH4]+ 361.11742 185.9
[M+K]+ 382.04676 178.5
[M+H-H2O]+ 326.08086 165.7
[M+HCOO]- 388.08180 191.5
[M+CH3COO]- 402.09745 186.2
[M+Na-2H]- 364.05827 179.9
[M]+ 343.08305 178.8
[M]- 343.08415 178.8
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.