CID 3323732

N-dansyl-n'-ethylthiourea

Structural Information

Molecular Formula
C15H19N3O2S2
SMILES
CCNC(=S)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C
InChI
InChI=1S/C15H19N3O2S2/c1-4-16-15(21)17-22(19,20)14-10-6-7-11-12(14)8-5-9-13(11)18(2)3/h5-10H,4H2,1-3H3,(H2,16,17,21)
InChIKey
YQBIVIRBVJOGQJ-UHFFFAOYSA-N
Compound name
1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.09186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09914 173.8
[M+Na]+ 360.08108 179.6
[M-H]- 336.08458 178.4
[M+NH4]+ 355.12568 188.6
[M+K]+ 376.05502 174.5
[M+H-H2O]+ 320.08912 166.4
[M+HCOO]- 382.09006 186.6
[M+CH3COO]- 396.10571 216.9
[M+Na-2H]- 358.06653 177.9
[M]+ 337.09131 176.8
[M]- 337.09241 176.8
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