CID 5469682

Nsc691415

Structural Information

Molecular Formula
C19H24N4O2S2
SMILES
CCCNC(=S)N/N=C(/C)\C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C19H24N4O2S2/c1-4-14-20-19(26)22-21-15(2)16-10-12-18(13-11-16)27(24,25)23(3)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H2,20,22,26)/b21-15-
InChIKey
AFALIXPOCRDOPL-QNGOZBTKSA-N
Compound name
1-[(Z)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.13406 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14134 194.7
[M+Na]+ 427.12328 197.6
[M-H]- 403.12678 202.0
[M+NH4]+ 422.16788 205.4
[M+K]+ 443.09722 192.1
[M+H-H2O]+ 387.13132 184.8
[M+HCOO]- 449.13226 209.3
[M+CH3COO]- 463.14791 232.4
[M+Na-2H]- 425.10873 196.7
[M]+ 404.13351 196.7
[M]- 404.13461 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.