CID 7728683

4-butoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C14H21N3OS
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=S)NCC
InChI
InChI=1S/C14H21N3OS/c1-3-5-10-18-13-8-6-12(7-9-13)11-16-17-14(19)15-4-2/h6-9,11H,3-5,10H2,1-2H3,(H2,15,17,19)/b16-11+
InChIKey
XYJHBSVMEKKODO-LFIBNONCSA-N
Compound name
1-[(E)-(4-butoxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14781 165.5
[M+Na]+ 302.12975 170.0
[M-H]- 278.13325 169.7
[M+NH4]+ 297.17435 181.9
[M+K]+ 318.10369 166.1
[M+H-H2O]+ 262.13779 157.2
[M+HCOO]- 324.13873 186.9
[M+CH3COO]- 338.15438 207.8
[M+Na-2H]- 300.11520 167.8
[M]+ 279.13998 168.3
[M]- 279.14108 168.3
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.