CID 114314

63833-92-1

Structural Information

Molecular Formula
C22H30N2S
SMILES
CCN(CC)CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C22H30N2S/c1-6-23(7-2)14-15-24-18-10-8-9-11-20(18)25-21-13-12-17(16-19(21)24)22(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3
InChIKey
XIISNFWENPKCQQ-UHFFFAOYSA-N
Compound name
2-(2-tert-butylphenothiazin-10-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.21298 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22026 187.7
[M+Na]+ 377.20220 193.7
[M-H]- 353.20570 191.9
[M+NH4]+ 372.24680 202.8
[M+K]+ 393.17614 188.5
[M+H-H2O]+ 337.21024 179.3
[M+HCOO]- 399.21118 199.5
[M+CH3COO]- 413.22683 223.2
[M+Na-2H]- 375.18765 190.4
[M]+ 354.21243 192.1
[M]- 354.21353 192.1
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.