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

1
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

literature stripe

Patent stripe

patents stripe