CID 582771

Dansyltryptamine

Structural Information

Molecular Formula
C22H23N3O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H23N3O2S/c1-25(2)21-11-5-9-19-18(21)8-6-12-22(19)28(26,27)24-14-13-16-15-23-20-10-4-3-7-17(16)20/h3-12,15,23-24H,13-14H2,1-2H3
InChIKey
FLXFAXABPSTODQ-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-[2-(1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

393.1511 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15838 191.3
[M+Na]+ 416.14032 204.5
[M+NH4]+ 411.18492 199.3
[M+K]+ 432.11426 196.5
[M-H]- 392.14382 196.5
[M+Na-2H]- 414.12577 199.3
[M]+ 393.15055 195.2
[M]- 393.15165 195.2
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

No patent data available for this compound.