CID 5417277

4-(diethylamino)benzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C18H22N4S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N4S/c1-3-22(4-2)17-12-10-15(11-13-17)14-19-21-18(23)20-16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H2,20,21,23)/b19-14+
InChIKey
DRCVCGPCPLQWDM-XMHGGMMESA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.15652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16380 178.4
[M+Na]+ 349.14574 188.5
[M+NH4]+ 344.19034 186.4
[M+K]+ 365.11968 178.6
[M-H]- 325.14924 185.5
[M+Na-2H]- 347.13119 187.3
[M]+ 326.15597 182.1
[M]- 326.15707 182.1
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.