CID 3025531

P 787

Structural Information

Molecular Formula
C22H29N3S
SMILES
CCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H29N3S/c1-2-12-23-15-17-24(18-16-23)13-7-14-25-19-8-3-5-10-21(19)26-22-11-6-4-9-20(22)25/h3-6,8-11H,2,7,12-18H2,1H3
InChIKey
ZQFUUXIUTCXROK-UHFFFAOYSA-N
Compound name
10-[3-(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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21550 189.1
[M+Na]+ 390.19744 203.7
[M+NH4]+ 385.24204 198.6
[M+K]+ 406.17138 191.2
[M-H]- 366.20094 194.3
[M+Na-2H]- 388.18289 195.5
[M]+ 367.20767 193.4
[M]- 367.20877 193.4
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.