CID 114316

63833-93-2

Structural Information

Molecular Formula
C20H26N2S
SMILES
CC(C)(C)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCN(C)C
InChI
InChI=1S/C20H26N2S/c1-20(2,3)15-10-11-19-17(14-15)22(13-12-21(4)5)16-8-6-7-9-18(16)23-19/h6-11,14H,12-13H2,1-5H3
InChIKey
YOPCMNWRGINFBC-UHFFFAOYSA-N
Compound name
2-(2-tert-butylphenothiazin-10-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18167 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18895 179.1
[M+Na]+ 349.17089 192.9
[M+NH4]+ 344.21549 189.2
[M+K]+ 365.14483 182.2
[M-H]- 325.17439 183.8
[M+Na-2H]- 347.15634 185.6
[M]+ 326.18112 183.3
[M]- 326.18222 183.3
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.