CID 3025532

103908-05-0

Structural Information

Molecular Formula
C22H29N3S
SMILES
CCCN1CCN(CC1)C(C)CN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H29N3S/c1-3-12-23-13-15-24(16-14-23)18(2)17-25-19-8-4-6-10-21(19)26-22-11-7-5-9-20(22)25/h4-11,18H,3,12-17H2,1-2H3
InChIKey
UISWXTHNOGRXPK-UHFFFAOYSA-N
Compound name
10-[2-(4-propylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.20822 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21550 188.4
[M+Na]+ 390.19744 202.6
[M+NH4]+ 385.24204 197.8
[M+K]+ 406.17138 190.9
[M-H]- 366.20094 193.4
[M+Na-2H]- 388.18289 194.5
[M]+ 367.20767 192.5
[M]- 367.20877 192.5
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.