CID 3062424

10-(3-(4-isopropyl-1-piperazinyl)propyl)phenothiazine

Structural Information

Molecular Formula
C22H29N3S
SMILES
CC(C)N1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H29N3S/c1-18(2)24-16-14-23(15-17-24)12-7-13-25-19-8-3-5-10-21(19)26-22-11-6-4-9-20(22)25/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKey
CWWKIAKUQABPFP-UHFFFAOYSA-N
Compound name
10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.20822 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.21550 188.2
[M+Na]+ 390.19744 192.7
[M-H]- 366.20094 190.3
[M+NH4]+ 385.24204 198.6
[M+K]+ 406.17138 185.6
[M+H-H2O]+ 350.20548 177.3
[M+HCOO]- 412.20642 193.7
[M+CH3COO]- 426.22207 195.0
[M+Na-2H]- 388.18289 188.6
[M]+ 367.20767 186.0
[M]- 367.20877 186.0
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.