CID 5390234

P-dimethylaminobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C10H14N4S
SMILES
CN(C)C1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7-
InChIKey
MUDHKEQEBJQRRG-GHXNOFRVSA-N
Compound name
[(Z)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.09392 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10120 150.2
[M+Na]+ 245.08314 158.6
[M+NH4]+ 240.12774 158.1
[M+K]+ 261.05708 151.2
[M-H]- 221.08664 154.5
[M+Na-2H]- 243.06859 156.2
[M]+ 222.09337 152.7
[M]- 222.09447 152.7
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

patents stripe