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

8
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 149.2
[M+Na]+ 245.08314 154.7
[M-H]- 221.08664 155.0
[M+NH4]+ 240.12774 167.8
[M+K]+ 261.05708 152.3
[M+H-H2O]+ 205.09118 141.2
[M+HCOO]- 267.09212 172.4
[M+CH3COO]- 281.10777 202.2
[M+Na-2H]- 243.06859 152.0
[M]+ 222.09337 148.7
[M]- 222.09447 148.7
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