CID 9588976

186453-60-1

Structural Information

Molecular Formula
C21H28N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OCC
InChI
InChI=1S/C21H28N4OS/c1-4-25(5-2)19-11-7-18(8-12-19)16-23-24-21(27)22-15-17-9-13-20(14-10-17)26-6-3/h7-14,16H,4-6,15H2,1-3H3,(H2,22,24,27)/b23-16+
InChIKey
XIZGZGPOUPDYBT-XQNSMLJCSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1984 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20568 194.3
[M+Na]+ 407.18762 197.2
[M-H]- 383.19112 202.4
[M+NH4]+ 402.23222 206.4
[M+K]+ 423.16156 192.6
[M+H-H2O]+ 367.19566 183.8
[M+HCOO]- 429.19660 216.4
[M+CH3COO]- 443.21225 233.9
[M+Na-2H]- 405.17307 195.4
[M]+ 384.19785 198.0
[M]- 384.19895 198.0
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.