CID 3049791

Brn 1195294

Structural Information

Molecular Formula
C22H26N4O6S
SMILES
CNC(=O)OCCN(CCOC(=O)NC)C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C22H26N4O6S/c1-23-20(27)31-12-10-25(11-13-32-21(28)24-2)22(29)26-16-6-4-5-7-18(16)33-19-9-8-15(30-3)14-17(19)26/h4-9,14H,10-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKey
JQUDQNNLRWHNJH-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenothiazine-10-carbonyl)-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.15732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.164596 206.4
[M+Na]+ 497.146538 208.4
[M-H]- 473.150044 209.9
[M+NH4]+ 492.191143 214.5
[M+K]+ 513.120478 207.4
[M+H-H2O]+ 457.154580 196.8
[M+HCOO]- 519.155521 220.2
[M+CH3COO]- 533.171171 243.2
[M+Na-2H]- 495.131986 209.1
[M]+ 474.15677142 214.0
[M]- 474.15786858 214.0
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.