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]+ 305.08738 165.2
[M+Na]+ 327.06932 174.3
[M-H]- 303.07282 170.2
[M+NH4]+ 322.11392 183.2
[M+K]+ 343.04326 168.4
[M+H-H2O]+ 287.07736 158.2
[M+HCOO]- 349.07830 176.1
[M+CH3COO]- 363.09395 176.6
[M+Na-2H]- 325.05477 169.8
[M]+ 304.07955 170.3
[M]- 304.08065 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.