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]+ 313.148146 174.0
[M+Na]+ 335.130088 179.0
[M-H]- 311.133594 183.0
[M+NH4]+ 330.174693 189.2
[M+K]+ 351.104028 174.6
[M+H-H2O]+ 295.138130 164.6
[M+HCOO]- 357.139071 197.2
[M+CH3COO]- 371.154721 219.9
[M+Na-2H]- 333.115536 176.8
[M]+ 312.14032142 175.0
[M]- 312.14141858 175.0
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.