CID 6875585

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

Structural Information

Molecular Formula
C17H20N4S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H20N4S/c1-13-5-4-6-15(11-13)19-17(22)20-18-12-14-7-9-16(10-8-14)21(2)3/h4-12H,1-3H3,(H2,19,20,22)/b18-12+
InChIKey
FXBGEGYVUMXLDA-LDADJPATSA-N
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.14087 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14815 174.6
[M+Na]+ 335.13009 185.3
[M+NH4]+ 330.17469 182.8
[M+K]+ 351.10403 175.7
[M-H]- 311.13359 181.8
[M+Na-2H]- 333.11554 183.5
[M]+ 312.14032 178.5
[M]- 312.14142 178.5
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.