CID 3057221

8-chloro-10-(1,2,5-trimethyl-3-pyrrolidinylmethyl)phenothiazine hydrochloride

Structural Information

Molecular Formula
C20H23ClN2S
SMILES
CC1CC(C(N1C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2S/c1-13-10-15(14(2)22(13)3)12-23-17-6-4-5-7-19(17)24-20-9-8-16(21)11-18(20)23/h4-9,11,13-15H,10,12H2,1-3H3
InChIKey
SDAYRUQOUORGLQ-UHFFFAOYSA-N
Compound name
2-chloro-10-[(1,2,5-trimethylpyrrolidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.12704 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13432 186.0
[M+Na]+ 381.11626 196.3
[M-H]- 357.11976 191.7
[M+NH4]+ 376.16086 202.3
[M+K]+ 397.09020 188.4
[M+H-H2O]+ 341.12430 178.4
[M+HCOO]- 403.12524 192.2
[M+CH3COO]- 417.14089 196.0
[M+Na-2H]- 379.10171 183.4
[M]+ 358.12649 189.1
[M]- 358.12759 189.1
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.