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]+ 475.16460 206.4
[M+Na]+ 497.14654 208.4
[M-H]- 473.15004 209.9
[M+NH4]+ 492.19114 214.5
[M+K]+ 513.12048 207.4
[M+H-H2O]+ 457.15458 196.8
[M+HCOO]- 519.15552 220.2
[M+CH3COO]- 533.17117 243.2
[M+Na-2H]- 495.13199 209.1
[M]+ 474.15677 214.0
[M]- 474.15787 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.