CID 199093

3689-38-1

Structural Information

Molecular Formula
C19H21ClN2S
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H21ClN2S/c1-21-10-4-5-14(12-21)13-22-16-6-2-3-7-18(16)23-19-9-8-15(20)11-17(19)22/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKey
HCUMMQCPFIANLM-UHFFFAOYSA-N
Compound name
2-chloro-10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

344.1114 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11868 177.5
[M+Na]+ 367.10062 185.3
[M-H]- 343.10412 181.8
[M+NH4]+ 362.14522 191.6
[M+K]+ 383.07456 177.5
[M+H-H2O]+ 327.10866 168.6
[M+HCOO]- 389.10960 181.9
[M+CH3COO]- 403.12525 186.5
[M+Na-2H]- 365.08607 179.3
[M]+ 344.11085 177.1
[M]- 344.11195 177.1
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

patents stripe