CID 9588977

186453-61-2

Structural Information

Molecular Formula
C22H30N4OS
SMILES
CCCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C22H30N4OS/c1-4-15-27-21-13-9-18(10-14-21)16-23-22(28)25-24-17-19-7-11-20(12-8-19)26(5-2)6-3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,23,25,28)/b24-17+
InChIKey
HBAYIEBTXLGVPE-JJIBRWJFSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-propoxyphenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.21402 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22130 198.5
[M+Na]+ 421.20324 201.0
[M-H]- 397.20674 206.4
[M+NH4]+ 416.24784 210.0
[M+K]+ 437.17718 196.2
[M+H-H2O]+ 381.21128 187.8
[M+HCOO]- 443.21222 220.2
[M+CH3COO]- 457.22787 236.8
[M+Na-2H]- 419.18869 199.1
[M]+ 398.21347 202.5
[M]- 398.21457 202.5
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.