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 177.6
[M+Na]+ 349.14574 181.3
[M-H]- 325.14924 186.0
[M+NH4]+ 344.19034 191.9
[M+K]+ 365.11968 176.7
[M+H-H2O]+ 309.15378 167.8
[M+HCOO]- 371.15472 200.5
[M+CH3COO]- 385.17037 221.7
[M+Na-2H]- 347.13119 180.7
[M]+ 326.15597 178.6
[M]- 326.15707 178.6
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.