CID 3038201

32416-24-3

Structural Information

Molecular Formula
C18H29N3OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCCN2CCN(CC2)C
InChI
InChI=1S/C18H29N3OS/c1-3-15-22-17-7-5-16(6-8-17)18(23)19-9-4-10-21-13-11-20(2)12-14-21/h5-8H,3-4,9-15H2,1-2H3,(H,19,23)
InChIKey
XZOWQDYTDHKUDP-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20312 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21040 181.5
[M+Na]+ 358.19234 184.6
[M-H]- 334.19584 183.8
[M+NH4]+ 353.23694 192.6
[M+K]+ 374.16628 179.4
[M+H-H2O]+ 318.20038 171.9
[M+HCOO]- 380.20132 193.0
[M+CH3COO]- 394.21697 212.5
[M+Na-2H]- 356.17779 179.9
[M]+ 335.20257 181.1
[M]- 335.20367 181.1
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.