CID 5889144

Nsc659417

Structural Information

Molecular Formula
C19H25N3O3S2
SMILES
CC(C)CN(CC(C)C)CN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S
InChI
InChI=1S/C19H25N3O3S2/c1-13(2)10-20(11-14(3)4)12-21-18(23)17(27-19(21)26)9-15-5-7-16(8-6-15)22(24)25/h5-9,13-14H,10-12H2,1-4H3/b17-9-
InChIKey
IZJNYQUTEWTJRT-MFOYZWKCSA-N
Compound name
(5Z)-3-[[bis(2-methylpropyl)amino]methyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.13373 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14101 195.9
[M+Na]+ 430.12295 198.8
[M-H]- 406.12645 201.3
[M+NH4]+ 425.16755 206.9
[M+K]+ 446.09689 189.4
[M+H-H2O]+ 390.13099 192.3
[M+HCOO]- 452.13193 205.1
[M+CH3COO]- 466.14758 222.0
[M+Na-2H]- 428.10840 191.0
[M]+ 407.13318 195.9
[M]- 407.13428 195.9
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.