CID 5482465

6-bromoharmine

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
CC1=NC=CC2=C1NC3=CC(=C(C=C23)Br)OC
InChI
InChI=1S/C13H11BrN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3
InChIKey
YRYJSDPQWKIQRL-UHFFFAOYSA-N
Compound name
6-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

290.0055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 157.7
[M+Na]+ 312.99472 172.8
[M-H]- 288.99822 163.2
[M+NH4]+ 308.03932 178.4
[M+K]+ 328.96866 160.2
[M+H-H2O]+ 273.00276 157.4
[M+HCOO]- 335.00370 176.6
[M+CH3COO]- 349.01935 172.5
[M+Na-2H]- 310.98017 165.4
[M]+ 290.00495 179.3
[M]- 290.00605 179.3
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