CID 3049785

Brn 1169130

Structural Information

Molecular Formula
C18H20N2O4S
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N(CCO)CCO
InChI
InChI=1S/C18H20N2O4S/c1-24-13-6-7-17-15(12-13)20(14-4-2-3-5-16(14)25-17)18(23)19(8-10-21)9-11-22/h2-7,12,21-22H,8-11H2,1H3
InChIKey
WLESVNDWWZSANB-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-2-methoxyphenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.11438 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12166 180.6
[M+Na]+ 383.10360 191.6
[M+NH4]+ 378.14820 187.6
[M+K]+ 399.07754 183.8
[M-H]- 359.10710 182.4
[M+Na-2H]- 381.08905 184.3
[M]+ 360.11383 182.9
[M]- 360.11493 182.9
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.