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 184.6
[M+Na]+ 381.11626 200.7
[M+NH4]+ 376.16086 195.3
[M+K]+ 397.09020 190.0
[M-H]- 357.11976 190.3
[M+Na-2H]- 379.10171 190.1
[M]+ 358.12649 189.6
[M]- 358.12759 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.