CID 5326150

Nostocarboline

Structural Information

Molecular Formula
C12H10ClN2
SMILES
C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H9ClN2/c1-15-5-4-9-10-6-8(13)2-3-11(10)14-12(9)7-15/h2-7H,1H3/p+1
InChIKey
RGQUDRQSJYJYAQ-UHFFFAOYSA-O
Compound name
6-chloro-2-methyl-9H-pyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

217.05325 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06053 145.4
[M+Na]+ 240.04247 158.1
[M-H]- 216.04597 147.9
[M+NH4]+ 235.08707 165.6
[M+K]+ 256.01641 145.8
[M+H-H2O]+ 200.05051 141.7
[M+HCOO]- 262.05145 161.6
[M+CH3COO]- 276.06710 178.7
[M+Na-2H]- 238.02792 155.4
[M]+ 217.05270 147.2
[M]- 217.05380 147.2
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.