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]+ 315.152576 170.2
[M+Na]+ 337.134518 175.4
[M-H]- 313.138024 171.8
[M+NH4]+ 332.179123 185.0
[M+K]+ 353.108458 170.0
[M+H-H2O]+ 297.142560 162.8
[M+HCOO]- 359.143501 181.2
[M+CH3COO]- 373.159151 179.3
[M+Na-2H]- 335.119966 173.6
[M]+ 314.14475142 170.8
[M]- 314.14584858 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.