CID 7728669

4-(dimethylamino)benzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C12H18N4S
SMILES
CCNC(=S)N/N=C/C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C12H18N4S/c1-4-13-12(17)15-14-9-10-5-7-11(8-6-10)16(2)3/h5-9H,4H2,1-3H3,(H2,13,15,17)/b14-9+
InChIKey
XTWBJDQTZOUMMA-NTEUORMPSA-N
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12521 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13249 159.2
[M+Na]+ 273.11443 167.5
[M+NH4]+ 268.15903 166.9
[M+K]+ 289.08837 159.3
[M-H]- 249.11793 163.6
[M+Na-2H]- 271.09988 165.1
[M]+ 250.12466 161.7
[M]- 250.12576 161.7
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

No patent data available for this compound.