CID 135408650

2-hydroxybenzaldehyde n-heptylthiosemicarbazone

Structural Information

Molecular Formula
C15H23N3OS
SMILES
CCCCCCCNC(=S)N/N=C/C1=CC=CC=C1O
InChI
InChI=1S/C15H23N3OS/c1-2-3-4-5-8-11-16-15(20)18-17-12-13-9-6-7-10-14(13)19/h6-7,9-10,12,19H,2-5,8,11H2,1H3,(H2,16,18,20)/b17-12+
InChIKey
HXVDEWVFBWGMCD-SFQUDFHCSA-N
Compound name
1-heptyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1562 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16348 169.4
[M+Na]+ 316.14542 173.0
[M-H]- 292.14892 171.9
[M+NH4]+ 311.19002 184.4
[M+K]+ 332.11936 168.0
[M+H-H2O]+ 276.15346 161.2
[M+HCOO]- 338.15440 189.0
[M+CH3COO]- 352.17005 208.4
[M+Na-2H]- 314.13087 170.8
[M]+ 293.15565 170.7
[M]- 293.15675 170.7
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.