CID 3048678

63918-80-9

Structural Information

Molecular Formula
C16H17ClN2S
SMILES
CN(C)C1=C2C(=CC=C1)SC3=CC(C=CC3=N2)CCCl
InChI
InChI=1S/C16H17ClN2S/c1-19(2)13-4-3-5-14-16(13)18-12-7-6-11(8-9-17)10-15(12)20-14/h3-7,10-11H,8-9H2,1-2H3
InChIKey
AEXSKGDWVVLMEM-UHFFFAOYSA-N
Compound name
7-(2-chloroethyl)-N,N-dimethyl-7H-phenothiazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0801 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.087376 165.2
[M+Na]+ 327.069318 174.3
[M-H]- 303.072824 170.2
[M+NH4]+ 322.113923 183.2
[M+K]+ 343.043258 168.4
[M+H-H2O]+ 287.077360 158.2
[M+HCOO]- 349.078301 176.1
[M+CH3COO]- 363.093951 176.6
[M+Na-2H]- 325.054766 169.8
[M]+ 304.07955142 170.3
[M]- 304.08064858 170.3
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.