CID 9554748

Nsc667890

Structural Information

Molecular Formula
C14H22N4S
SMILES
CCCN(CCC)C(=S)N/N=C/C1=CC=CC(=N1)C
InChI
InChI=1S/C14H22N4S/c1-4-9-18(10-5-2)14(19)17-15-11-13-8-6-7-12(3)16-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,19)/b15-11+
InChIKey
FRWBTUMOMNIVOB-RVDMUPIBSA-N
Compound name
3-[(E)-(6-methylpyridin-2-yl)methylideneamino]-1,1-dipropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15652 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16380 167.2
[M+Na]+ 301.14574 172.0
[M-H]- 277.14924 171.6
[M+NH4]+ 296.19034 183.0
[M+K]+ 317.11968 168.9
[M+H-H2O]+ 261.15378 158.2
[M+HCOO]- 323.15472 187.6
[M+CH3COO]- 337.17037 211.7
[M+Na-2H]- 299.13119 168.8
[M]+ 278.15597 170.4
[M]- 278.15707 170.4
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.