CID 4247

Dansylcadaverine

Structural Information

Molecular Formula
C17H25N3O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCN
InChI
InChI=1S/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3
InChIKey
MLEBFEHOJICQQS-UHFFFAOYSA-N
Compound name
N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

482
References

3669
Patents

335.16675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17403 178.2
[M+Na]+ 358.15597 187.3
[M+NH4]+ 353.20057 185.2
[M+K]+ 374.12991 179.3
[M-H]- 334.15947 181.3
[M+Na-2H]- 356.14142 183.2
[M]+ 335.16620 180.6
[M]- 335.16730 180.6
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