CID 471286

Chembl430334

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CN1C2=C(C=C(C=C2)O)C3=C4C(=C(C=C31)OC)C=CN=C4Cl
InChI
InChI=1S/C17H13ClN2O2/c1-20-12-4-3-9(21)7-11(12)15-13(20)8-14(22-2)10-5-6-19-17(18)16(10)15/h3-8,21H,1-2H3
InChIKey
CHGKIBLDKIVOTG-UHFFFAOYSA-N
Compound name
1-chloro-5-methoxy-7-methylpyrido[4,3-c]carbazol-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 170.1
[M+Na]+ 335.05578 185.5
[M-H]- 311.05928 174.4
[M+NH4]+ 330.10038 188.3
[M+K]+ 351.02972 177.9
[M+H-H2O]+ 295.06382 162.8
[M+HCOO]- 357.06476 186.2
[M+CH3COO]- 371.08041 183.1
[M+Na-2H]- 333.04123 176.6
[M]+ 312.06601 179.1
[M]- 312.06711 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.