CID 47567

Brn 1196618

Structural Information

Molecular Formula
C24H30N4O6S
SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C24H30N4O6S/c1-4-25-22(29)33-14-12-27(13-15-34-23(30)26-5-2)24(31)28-18-8-6-7-9-20(18)35-21-11-10-17(32-3)16-19(21)28/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKey
ZMHOQVMEDAJLJO-UHFFFAOYSA-N
Compound name
2-[2-(ethylcarbamoyloxy)ethyl-(2-methoxyphenothiazine-10-carbonyl)amino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1886 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.19588 214.9
[M+Na]+ 525.17782 221.3
[M+NH4]+ 520.22242 218.5
[M+K]+ 541.15176 215.3
[M-H]- 501.18132 215.9
[M+Na-2H]- 523.16327 216.5
[M]+ 502.18805 215.9
[M]- 502.18915 215.9
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.