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 174.0
[M+Na]+ 335.13009 179.0
[M-H]- 311.13359 183.0
[M+NH4]+ 330.17469 189.2
[M+K]+ 351.10403 174.6
[M+H-H2O]+ 295.13813 164.6
[M+HCOO]- 357.13907 197.2
[M+CH3COO]- 371.15472 219.9
[M+Na-2H]- 333.11554 176.8
[M]+ 312.14032 175.0
[M]- 312.14142 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.