CID 114318

Phenothiazine, 2-tert-butyl-10-(3-dimethylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C21H28N2S
SMILES
CC(C)(C)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C21H28N2S/c1-21(2,3)16-11-12-20-18(15-16)23(14-8-13-22(4)5)17-9-6-7-10-19(17)24-20/h6-7,9-12,15H,8,13-14H2,1-5H3
InChIKey
JZKRDKPQHYENMJ-UHFFFAOYSA-N
Compound name
3-(2-tert-butylphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19733 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20461 183.2
[M+Na]+ 363.18655 189.7
[M-H]- 339.19005 187.6
[M+NH4]+ 358.23115 198.9
[M+K]+ 379.16049 184.7
[M+H-H2O]+ 323.19459 175.0
[M+HCOO]- 385.19553 195.4
[M+CH3COO]- 399.21118 220.3
[M+Na-2H]- 361.17200 186.5
[M]+ 340.19678 187.3
[M]- 340.19788 187.3
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.