CID 9631057

4-(dimethylamino)benzaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C16H17ClN4S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H17ClN4S/c1-21(2)15-8-6-12(7-9-15)11-18-20-16(22)19-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+
InChIKey
XPNRQZTXCXNUBZ-WOJGMQOQSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08624 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09352 177.5
[M+Na]+ 355.07546 189.2
[M+NH4]+ 350.12006 186.1
[M+K]+ 371.04940 178.9
[M-H]- 331.07896 184.7
[M+Na-2H]- 353.06091 186.6
[M]+ 332.08569 181.8
[M]- 332.08679 181.8
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.