CID 121945

Dansyllysine

Structural Information

Molecular Formula
C18H25N3O4S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKey
VQPRNSWQIAHPMS-HNNXBMFYSA-N
Compound name
(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

565
Patents

379.1566 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16388 186.5
[M+Na]+ 402.14582 189.7
[M-H]- 378.14932 189.2
[M+NH4]+ 397.19042 198.1
[M+K]+ 418.11976 186.7
[M+H-H2O]+ 362.15386 178.6
[M+HCOO]- 424.15480 201.4
[M+CH3COO]- 438.17045 225.7
[M+Na-2H]- 400.13127 188.3
[M]+ 379.15605 189.3
[M]- 379.15715 189.3
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