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 169.4
[M+Na]+ 353.08495 179.6
[M-H]- 329.08845 177.4
[M+NH4]+ 348.12955 181.4
[M+K]+ 369.05889 173.1
[M+H-H2O]+ 313.09299 161.8
[M+HCOO]- 375.09393 180.4
[M+CH3COO]- 389.10958 180.2
[M+Na-2H]- 351.07040 172.6
[M]+ 330.09518 176.1
[M]- 330.09628 176.1
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.