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 178.7
[M+Na]+ 349.17089 185.7
[M-H]- 325.17439 183.4
[M+NH4]+ 344.21549 195.0
[M+K]+ 365.14483 180.9
[M+H-H2O]+ 309.17893 170.8
[M+HCOO]- 371.17987 191.2
[M+CH3COO]- 385.19552 217.3
[M+Na-2H]- 347.15634 182.5
[M]+ 326.18112 182.5
[M]- 326.18222 182.5
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.