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 192.1
[M+Na]+ 416.14032 200.3
[M-H]- 392.14382 199.6
[M+NH4]+ 411.18492 205.8
[M+K]+ 432.11426 193.9
[M+H-H2O]+ 376.14836 184.0
[M+HCOO]- 438.14930 209.3
[M+CH3COO]- 452.16495 202.1
[M+Na-2H]- 414.12577 197.5
[M]+ 393.15055 196.9
[M]- 393.15165 196.9
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.