CID 9569904

Nsc623641

Structural Information

Molecular Formula
C11H15N3S
SMILES
C/C(=N\NC(=S)N)/CCC1=CC=CC=C1
InChI
InChI=1S/C11H15N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,12,14,15)/b13-9+
InChIKey
WZAXFTMBTLZLKA-UKTHLTGXSA-N
Compound name
[(E)-4-phenylbutan-2-ylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 150.5
[M+Na]+ 244.08788 159.1
[M+NH4]+ 239.13248 158.5
[M+K]+ 260.06182 151.2
[M-H]- 220.09138 154.0
[M+Na-2H]- 242.07333 156.2
[M]+ 221.09811 152.8
[M]- 221.09921 152.8
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.