CID 9690017

[(e)-[(2z,4e)-3-methyl-5-(1,2,2,4-tetramethyl-6-quinolyl)penta-2,4-dienylidene]amino]thiourea

Structural Information

Molecular Formula
C20H26N4S
SMILES
CC1=CC(N(C2=C1C=C(C=C2)/C=C/C(=C\C=N\NC(=S)N)/C)C)(C)C
InChI
InChI=1S/C20H26N4S/c1-14(10-11-22-23-19(21)25)6-7-16-8-9-18-17(12-16)15(2)13-20(3,4)24(18)5/h6-13H,1-5H3,(H3,21,23,25)/b7-6+,14-10-,22-11+
InChIKey
VLFCHEVNWNLKDM-ASYQLLRGSA-N
Compound name
[(E)-[(2Z,4E)-3-methyl-5-(1,2,2,4-tetramethylquinolin-6-yl)penta-2,4-dienylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19508 185.0
[M+Na]+ 377.17702 191.3
[M-H]- 353.18052 188.2
[M+NH4]+ 372.22162 200.4
[M+K]+ 393.15096 184.7
[M+H-H2O]+ 337.18506 177.6
[M+HCOO]- 399.18600 200.1
[M+CH3COO]- 413.20165 225.3
[M+Na-2H]- 375.16247 184.8
[M]+ 354.18725 185.2
[M]- 354.18835 185.2
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

No patent data available for this compound.