CID 47561

Brn 1193028

Structural Information

Molecular Formula
C23H28N4O5S
SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C23H28N4O5S/c1-3-24-21(28)31-15-13-26(14-16-32-22(29)25-4-2)23(30)27-17-9-5-7-11-19(17)33-20-12-8-6-10-18(20)27/h5-12H,3-4,13-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKey
QVBZQJXDXASBSN-UHFFFAOYSA-N
Compound name
2-[2-(ethylcarbamoyloxy)ethyl-(phenothiazine-10-carbonyl)amino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.17804 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18532 207.7
[M+Na]+ 495.16726 208.8
[M-H]- 471.17076 210.6
[M+NH4]+ 490.21186 215.8
[M+K]+ 511.14120 206.6
[M+H-H2O]+ 455.17530 197.9
[M+HCOO]- 517.17624 221.0
[M+CH3COO]- 531.19189 242.5
[M+Na-2H]- 493.15271 210.2
[M]+ 472.17749 213.8
[M]- 472.17859 213.8
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.