CID 40195

52018-91-4

Structural Information

Molecular Formula
C18H19BrN2
SMILES
CCC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C18H19BrN2/c1-2-14(20)11-16-15-5-3-4-6-17(15)21-18(16)12-7-9-13(19)10-8-12/h3-10,14,21H,2,11,20H2,1H3
InChIKey
VBQVMSNFCANGNB-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-1H-indol-3-yl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07315 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08043 177.1
[M+Na]+ 365.06237 188.0
[M-H]- 341.06587 184.4
[M+NH4]+ 360.10697 194.8
[M+K]+ 381.03631 173.7
[M+H-H2O]+ 325.07041 175.4
[M+HCOO]- 387.07135 196.2
[M+CH3COO]- 401.08700 189.5
[M+Na-2H]- 363.04782 180.5
[M]+ 342.07260 194.6
[M]- 342.07370 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.