CID 9588978

186453-62-3

Structural Information

Molecular Formula
C22H30N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OC(C)C
InChI
InChI=1S/C22H30N4OS/c1-5-26(6-2)20-11-7-19(8-12-20)16-24-25-22(28)23-15-18-9-13-21(14-10-18)27-17(3)4/h7-14,16-17H,5-6,15H2,1-4H3,(H2,23,25,28)/b24-16+
InChIKey
OHNSHDFNXDFXTJ-LFVJCYFKSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22130 199.1
[M+Na]+ 421.20324 207.8
[M+NH4]+ 416.24784 205.7
[M+K]+ 437.17718 198.5
[M-H]- 397.20674 205.3
[M+Na-2H]- 419.18869 206.1
[M]+ 398.21347 202.3
[M]- 398.21457 202.3
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.