CID 377565

Nsc659129

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CC(CC1=C2C(=CC=C1)SC3=CC=CC=C3N2)N(C)CCO
InChI
InChI=1S/C18H22N2OS/c1-13(20(2)10-11-21)12-14-6-5-9-17-18(14)19-15-7-3-4-8-16(15)22-17/h3-9,13,19,21H,10-12H2,1-2H3
InChIKey
YVMXOTFHWXEJKP-UHFFFAOYSA-N
Compound name
2-[methyl-[1-(10H-phenothiazin-1-yl)propan-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 170.2
[M+Na]+ 337.13452 175.4
[M-H]- 313.13802 171.8
[M+NH4]+ 332.17912 185.0
[M+K]+ 353.10846 170.0
[M+H-H2O]+ 297.14256 162.8
[M+HCOO]- 359.14350 181.2
[M+CH3COO]- 373.15915 179.3
[M+Na-2H]- 335.11997 173.6
[M]+ 314.14475 170.8
[M]- 314.14585 170.8
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.