CID 11417217

Dansyl-l-asparagine

Structural Information

Molecular Formula
C16H19N3O5S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1
InChIKey
LRBOEWHGZIFPKV-LBPRGKRZSA-N
Compound name
(2S)-4-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

37
Patents

365.10455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.111826 179.6
[M+Na]+ 388.093768 183.3
[M-H]- 364.097274 182.7
[M+NH4]+ 383.138373 191.3
[M+K]+ 404.067708 181.5
[M+H-H2O]+ 348.101810 172.1
[M+HCOO]- 410.102751 194.4
[M+CH3COO]- 424.118401 222.3
[M+Na-2H]- 386.079216 181.6
[M]+ 365.10400142 181.8
[M]- 365.10509858 181.8
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