CID 24842112

1-piperazineethanol, 4-(3-(2-chloro-10-phenothiazinyl)propyl)-, dimethylcarbamate (ester), dihydrochloride

Structural Information

Molecular Formula
C24H31ClN4O2S
SMILES
CN(C)C(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C24H31ClN4O2S/c1-26(2)24(30)31-17-16-28-14-12-27(13-15-28)10-5-11-29-20-6-3-4-7-22(20)32-23-9-8-19(25)18-21(23)29/h3-4,6-9,18H,5,10-17H2,1-2H3
InChIKey
VOHWRKYDICNCAR-UHFFFAOYSA-N
Compound name
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.18564 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.19292 210.2
[M+Na]+ 497.17486 214.2
[M-H]- 473.17836 213.4
[M+NH4]+ 492.21946 217.5
[M+K]+ 513.14880 208.0
[M+H-H2O]+ 457.18290 199.3
[M+HCOO]- 519.18384 212.5
[M+CH3COO]- 533.19949 215.8
[M+Na-2H]- 495.16031 209.6
[M]+ 474.18509 213.9
[M]- 474.18619 213.9
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.