CID 3006011

88324-39-4

Structural Information

Molecular Formula
C14H18N4S
SMILES
CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N(C)C
InChI
InChI=1S/C14H18N4S/c1-10(16-17-14(19)18(2)3)12-9-8-11-6-4-5-7-13(11)15-12/h4-10,16H,1-3H3,(H,17,19)
InChIKey
HEMLPVJIOAYTPW-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(1-quinolin-2-ylethylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.1252 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13248 161.3
[M+Na]+ 297.11442 166.5
[M-H]- 273.11792 165.4
[M+NH4]+ 292.15902 177.5
[M+K]+ 313.08836 163.2
[M+H-H2O]+ 257.12246 153.2
[M+HCOO]- 319.12340 179.1
[M+CH3COO]- 333.13905 209.0
[M+Na-2H]- 295.09987 165.5
[M]+ 274.12465 162.0
[M]- 274.12575 162.0
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.