CID 5860451

Nsc673736

Structural Information

Molecular Formula
C15H24N4S
SMILES
CCCN(CCC)C(=S)N/N=C(\C)/C1=CC=CC(=N1)C
InChI
InChI=1S/C15H24N4S/c1-5-10-19(11-6-2)15(20)18-17-13(4)14-9-7-8-12(3)16-14/h7-9H,5-6,10-11H2,1-4H3,(H,18,20)/b17-13+
InChIKey
MRHREPWYJONNMD-GHRIWEEISA-N
Compound name
3-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]-1,1-dipropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17946 172.2
[M+Na]+ 315.16140 176.3
[M-H]- 291.16490 176.5
[M+NH4]+ 310.20600 187.4
[M+K]+ 331.13534 173.5
[M+H-H2O]+ 275.16944 163.1
[M+HCOO]- 337.17038 191.2
[M+CH3COO]- 351.18603 215.6
[M+Na-2H]- 313.14685 172.2
[M]+ 292.17163 175.2
[M]- 292.17273 175.2
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.