CID 3037966

Nsc 304453

Structural Information

Molecular Formula
C18H19ClN2S
SMILES
CN(C)C[C@@H]1C[C@H]1N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN2S/c1-20(2)11-12-9-15(12)21-14-5-3-4-6-17(14)22-18-8-7-13(19)10-16(18)21/h3-8,10,12,15H,9,11H2,1-2H3/t12-,15+/m0/s1
InChIKey
QJJSUEYENTWTOV-SWLSCSKDSA-N
Compound name
1-[(1S,2R)-2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.09573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10301 171.9
[M+Na]+ 353.08495 189.2
[M+NH4]+ 348.12955 183.6
[M+K]+ 369.05889 178.9
[M-H]- 329.08845 185.3
[M+Na-2H]- 351.07040 182.3
[M]+ 330.09518 180.4
[M]- 330.09628 180.4
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.