CID 5387615

(2z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinecarbothioamide

Structural Information

Molecular Formula
C11H15N3S
SMILES
CCC1=CC=C(C=C1)/C(=N\NC(=S)N)/C
InChI
InChI=1S/C11H15N3S/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15/h4-7H,3H2,1-2H3,(H3,12,14,15)/b13-8-
InChIKey
HXMZCORQSLXYAF-JYRVWZFOSA-N
Compound name
[(Z)-1-(4-ethylphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 150.2
[M+Na]+ 244.08788 155.7
[M-H]- 220.09138 154.5
[M+NH4]+ 239.13248 168.5
[M+K]+ 260.06182 152.2
[M+H-H2O]+ 204.09592 142.9
[M+HCOO]- 266.09686 170.6
[M+CH3COO]- 280.11251 197.6
[M+Na-2H]- 242.07333 151.6
[M]+ 221.09811 149.0
[M]- 221.09921 149.0
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.