CID 637026

951322-11-5

Structural Information

Molecular Formula
C16H21BrN2
SMILES
CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)Br)CCNC
InChI
InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3
InChIKey
GQHSCJUTJKLZPX-UHFFFAOYSA-N
Compound name
2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

51
Patents

320.0888 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09608 173.0
[M+Na]+ 343.07802 184.7
[M-H]- 319.08152 177.8
[M+NH4]+ 338.12262 192.4
[M+K]+ 359.05196 170.5
[M+H-H2O]+ 303.08606 172.3
[M+HCOO]- 365.08700 191.5
[M+CH3COO]- 379.10265 206.2
[M+Na-2H]- 341.06347 178.1
[M]+ 320.08825 192.5
[M]- 320.08935 192.5
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