CID 9588979

186453-63-4

Structural Information

Molecular Formula
C23H32N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OCC(C)C
InChI
InChI=1S/C23H32N4OS/c1-5-27(6-2)21-11-7-20(8-12-21)16-25-26-23(29)24-15-19-9-13-22(14-10-19)28-17-18(3)4/h7-14,16,18H,5-6,15,17H2,1-4H3,(H2,24,26,29)/b25-16+
InChIKey
BDCAUNACVSNGCW-PCLIKHOPSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[[4-(2-methylpropoxy)phenyl]methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23696 203.4
[M+Na]+ 435.21890 211.9
[M+NH4]+ 430.26350 209.7
[M+K]+ 451.19284 202.3
[M-H]- 411.22240 209.5
[M+Na-2H]- 433.20435 210.1
[M]+ 412.22913 206.5
[M]- 412.23023 206.5
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.