CID 172635896

3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1h-indol-1-yl]-n-methylpropanamide

Structural Information

Molecular Formula
C20H22BrN3O
SMILES
CNC(=O)CCN1C=C(C2=CC=CC=C21)CNCC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H22BrN3O/c1-22-20(25)10-11-24-14-16(18-4-2-3-5-19(18)24)13-23-12-15-6-8-17(21)9-7-15/h2-9,14,23H,10-13H2,1H3,(H,22,25)
InChIKey
KSZKVCZXASDIAD-UHFFFAOYSA-N
Compound name
3-[3-[[(4-bromophenyl)methylamino]methyl]indol-1-yl]-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.09464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.10192 189.0
[M+Na]+ 422.08386 198.5
[M-H]- 398.08736 197.6
[M+NH4]+ 417.12846 204.8
[M+K]+ 438.05780 184.9
[M+H-H2O]+ 382.09190 185.7
[M+HCOO]- 444.09284 210.6
[M+CH3COO]- 458.10849 222.1
[M+Na-2H]- 420.06931 193.4
[M]+ 399.09409 209.6
[M]- 399.09519 209.6
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.