CID 750747

328548-68-1

Structural Information

Molecular Formula
C14H10ClN5O
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)Cl)N3C=NN=N3
InChI
InChI=1S/C14H10ClN5O/c15-11-3-5-12(6-4-11)17-14(21)10-1-7-13(8-2-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKey
XUUBEQAYIPHSJT-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-(tetrazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.05737 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06465 165.0
[M+Na]+ 322.04659 174.4
[M-H]- 298.05009 169.9
[M+NH4]+ 317.09119 176.4
[M+K]+ 338.02053 167.9
[M+H-H2O]+ 282.05463 153.8
[M+HCOO]- 344.05557 181.7
[M+CH3COO]- 358.07122 175.8
[M+Na-2H]- 320.03204 170.2
[M]+ 299.05682 166.4
[M]- 299.05792 166.4
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.