CID 356853

Nsc614344

Structural Information

Molecular Formula
C16H11ClN6O
SMILES
CC(=O)NC1=NC2=C(C=C1)C=C(C3=NN=NN23)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H11ClN6O/c1-9(24)18-14-7-4-11-8-13(10-2-5-12(17)6-3-10)16-20-21-22-23(16)15(11)19-14/h2-8H,1H3,(H,18,19,24)
InChIKey
LXYMMCQRMLVFFN-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)tetrazolo[1,5-a][1,8]naphthyridin-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07558 176.6
[M+Na]+ 361.05752 189.2
[M-H]- 337.06102 179.6
[M+NH4]+ 356.10212 187.7
[M+K]+ 377.03146 181.3
[M+H-H2O]+ 321.06556 165.4
[M+HCOO]- 383.06650 190.6
[M+CH3COO]- 397.08215 187.0
[M+Na-2H]- 359.04297 183.5
[M]+ 338.06775 181.5
[M]- 338.06885 181.5
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.