CID 99712

Piperidochlorpromazine

Structural Information

Molecular Formula
C20H23ClN2S
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2S/c1-22-12-5-4-6-16(22)11-13-23-17-7-2-3-8-19(17)24-20-10-9-15(21)14-18(20)23/h2-3,7-10,14,16H,4-6,11-13H2,1H3
InChIKey
SNXMQJGTZHNPCN-UHFFFAOYSA-N
Compound name
2-chloro-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

82
Patents

358.12704 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13432 181.8
[M+Na]+ 381.11626 189.1
[M-H]- 357.11976 185.9
[M+NH4]+ 376.16086 195.3
[M+K]+ 397.09020 181.1
[M+H-H2O]+ 341.12430 172.7
[M+HCOO]- 403.12524 185.8
[M+CH3COO]- 417.14089 190.3
[M+Na-2H]- 379.10171 183.1
[M]+ 358.12649 181.7
[M]- 358.12759 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe