CID 3006109

Nsc74804

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC(C)NC(=S)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C14H17N3OS/c1-9(2)16-14(19)17-12-8-11(18-3)7-10-5-4-6-15-13(10)12/h4-9H,1-3H3,(H2,16,17,19)
InChIKey
OBRYHRPGSMXPQO-UHFFFAOYSA-N
Compound name
1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 161.3
[M+Na]+ 298.09844 168.0
[M-H]- 274.10194 164.3
[M+NH4]+ 293.14304 177.4
[M+K]+ 314.07238 163.8
[M+H-H2O]+ 258.10648 153.8
[M+HCOO]- 320.10742 177.9
[M+CH3COO]- 334.12307 203.9
[M+Na-2H]- 296.08389 164.9
[M]+ 275.10867 163.2
[M]- 275.10977 163.2
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.