CID 381898

4-azido-2-chloro-3-methoxy-quinoline

Structural Information

Molecular Formula
C10H7ClN4O
SMILES
COC1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]
InChI
InChI=1S/C10H7ClN4O/c1-16-9-8(14-15-12)6-4-2-3-5-7(6)13-10(9)11/h2-5H,1H3
InChIKey
CDBXPLLXFNTSTN-UHFFFAOYSA-N
Compound name
4-azido-2-chloro-3-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03084 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03812 147.3
[M+Na]+ 257.02006 157.1
[M-H]- 233.02356 153.3
[M+NH4]+ 252.06466 166.0
[M+K]+ 272.99400 148.8
[M+H-H2O]+ 217.02810 144.7
[M+HCOO]- 279.02904 172.3
[M+CH3COO]- 293.04469 193.7
[M+Na-2H]- 255.00551 159.1
[M]+ 234.03029 149.4
[M]- 234.03139 149.4
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.