CID 128100

Dansylamino-pitc

Structural Information

Molecular Formula
C19H17N3O2S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S
InChI
InChI=1S/C19H17N3O2S2/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(23,24)21-15-11-9-14(10-12-15)20-13-25/h3-12,21H,1-2H3
InChIKey
MZGXHCHKGRQLHR-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

50
Patents

383.07623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08351 184.8
[M+Na]+ 406.06545 196.9
[M+NH4]+ 401.11005 192.8
[M+K]+ 422.03939 185.7
[M-H]- 382.06895 190.9
[M+Na-2H]- 404.05090 193.7
[M]+ 383.07568 189.2
[M]- 383.07678 189.2
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

patents stripe