CID 201186

9h-pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-bromophenyl)-, hydrochloride

Structural Information

Molecular Formula
C17H15BrN2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br
InChI
InChI=1S/C17H15BrN2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17/h1-8,16,19-20H,9-10H2
InChIKey
HPHJFDGJKPJDGN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

39
Patents

326.04187 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04915 170.8
[M+Na]+ 349.03109 182.2
[M-H]- 325.03459 176.7
[M+NH4]+ 344.07569 188.5
[M+K]+ 365.00503 167.6
[M+H-H2O]+ 309.03913 169.7
[M+HCOO]- 371.04007 185.4
[M+CH3COO]- 385.05572 182.8
[M+Na-2H]- 347.01654 176.6
[M]+ 326.04132 185.2
[M]- 326.04242 185.2
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