CID 487195

10-[3-(dimethylamino)-2-dimethylpropyl]phenothiazin-2-carbonitril

Structural Information

Molecular Formula
C18H21ClN2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C18H21ClN2S/c1-13(11-20(2)3)12-21-15-6-4-5-7-17(15)22-18-9-8-14(19)10-16(18)21/h4-10,13H,11-12H2,1-3H3
InChIKey
HHUGBQFBLIDJIR-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1114 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11868 174.0
[M+Na]+ 355.10062 181.7
[M-H]- 331.10412 178.6
[M+NH4]+ 350.14522 190.7
[M+K]+ 371.07456 176.0
[M+H-H2O]+ 315.10866 166.8
[M+HCOO]- 377.10960 183.2
[M+CH3COO]- 391.12525 184.4
[M+Na-2H]- 353.08607 176.6
[M]+ 332.11085 179.2
[M]- 332.11195 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.