CID 4777852

8-bromo-1h,2h,3h,4h,5h-pyrido[4,3-b]indole hydrochloride

Structural Information

Molecular Formula
C11H11BrN2
SMILES
C1CNCC2=C1NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C11H11BrN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey
NCYAUUMFSRUGHL-UHFFFAOYSA-N
Compound name
8-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

250.01056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.017836 149.1
[M+Na]+ 272.999778 161.4
[M-H]- 249.003284 152.3
[M+NH4]+ 268.044383 170.1
[M+K]+ 288.973718 148.0
[M+H-H2O]+ 233.007820 149.2
[M+HCOO]- 295.008761 164.5
[M+CH3COO]- 309.024411 162.6
[M+Na-2H]- 270.985226 156.9
[M]+ 250.01001142 163.7
[M]- 250.01110858 163.7
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