CID 3006013

Jyoikmwpgxvupi-uhfffaoysa-n

Structural Information

Molecular Formula
C19H26N4S
SMILES
CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N(C)C3CCCCC3
InChI
InChI=1S/C19H26N4S/c1-14(17-13-12-15-8-6-7-11-18(15)20-17)21-22-19(24)23(2)16-9-4-3-5-10-16/h6-8,11-14,16,21H,3-5,9-10H2,1-2H3,(H,22,24)
InChIKey
JYOIKMWPGXVUPI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1-methyl-3-(1-quinolin-2-ylethylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.1878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19508 177.8
[M+Na]+ 365.17702 179.1
[M-H]- 341.18052 183.2
[M+NH4]+ 360.22162 190.3
[M+K]+ 381.15096 174.8
[M+H-H2O]+ 325.18506 168.4
[M+HCOO]- 387.18600 191.2
[M+CH3COO]- 401.20165 220.8
[M+Na-2H]- 363.16247 179.9
[M]+ 342.18725 173.6
[M]- 342.18835 173.6
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.