CID 381916

4-azido-3-benzyl-2-chloro-quinoline

Structural Information

Molecular Formula
C16H11ClN4
SMILES
C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]
InChI
InChI=1S/C16H11ClN4/c17-16-13(10-11-6-2-1-3-7-11)15(20-21-18)12-8-4-5-9-14(12)19-16/h1-9H,10H2
InChIKey
VYRPSBGXRZRSBM-UHFFFAOYSA-N
Compound name
4-azido-3-benzyl-2-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.06723 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07451 166.8
[M+Na]+ 317.05645 175.1
[M-H]- 293.05995 175.0
[M+NH4]+ 312.10105 182.4
[M+K]+ 333.03039 164.1
[M+H-H2O]+ 277.06449 161.9
[M+HCOO]- 339.06543 190.6
[M+CH3COO]- 353.08108 205.6
[M+Na-2H]- 315.04190 177.6
[M]+ 294.06668 167.1
[M]- 294.06778 167.1
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.