CID 135493882

Nsc668294

Structural Information

Molecular Formula
C15H23N3OS
SMILES
CCCN(CCC)C(=S)N/N=C(\C)/C1=CC=CC=C1O
InChI
InChI=1S/C15H23N3OS/c1-4-10-18(11-5-2)15(20)17-16-12(3)13-8-6-7-9-14(13)19/h6-9,19H,4-5,10-11H2,1-3H3,(H,17,20)/b16-12+
InChIKey
SAVUTTHDKFCZOT-FOWTUZBSSA-N
Compound name
3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,1-dipropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1562 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16348 171.8
[M+Na]+ 316.14542 175.1
[M-H]- 292.14892 175.9
[M+NH4]+ 311.19002 187.3
[M+K]+ 332.11936 172.1
[M+H-H2O]+ 276.15346 163.5
[M+HCOO]- 338.15440 190.7
[M+CH3COO]- 352.17005 212.5
[M+Na-2H]- 314.13087 171.2
[M]+ 293.15565 173.7
[M]- 293.15675 173.7
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.