CID 3070137

Brn 4587000

Structural Information

Molecular Formula
C23H30N4OS
SMILES
C1CN=C(SC1)NC2=CC(=CC=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N4OS/c1-2-8-21(9-3-1)27-15-13-26(14-16-27)12-6-17-28-22-10-4-7-20(19-22)25-23-24-11-5-18-29-23/h1-4,7-10,19H,5-6,11-18H2,(H,24,25)
InChIKey
JSUULENRHMZVIT-UHFFFAOYSA-N
Compound name
N-[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22130 196.0
[M+Na]+ 433.20324 197.7
[M-H]- 409.20674 201.9
[M+NH4]+ 428.24784 201.3
[M+K]+ 449.17718 190.3
[M+H-H2O]+ 393.21128 183.1
[M+HCOO]- 455.21222 205.3
[M+CH3COO]- 469.22787 201.6
[M+Na-2H]- 431.18869 196.6
[M]+ 410.21347 190.7
[M]- 410.21457 190.7
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.