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 158.1
[M+Na]+ 273.11443 162.8
[M-H]- 249.11793 164.1
[M+NH4]+ 268.15903 175.9
[M+K]+ 289.08837 160.3
[M+H-H2O]+ 233.12247 149.7
[M+HCOO]- 295.12341 181.2
[M+CH3COO]- 309.13906 208.2
[M+Na-2H]- 271.09988 161.0
[M]+ 250.12466 159.2
[M]- 250.12576 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.