CID 47562

Brn 1194717

Structural Information

Molecular Formula
C25H32N4O5S
SMILES
CC(C)NC(=O)OCCN(CCOC(=O)NC(C)C)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C25H32N4O5S/c1-17(2)26-23(30)33-15-13-28(14-16-34-24(31)27-18(3)4)25(32)29-19-9-5-7-11-21(19)35-22-12-8-6-10-20(22)29/h5-12,17-18H,13-16H2,1-4H3,(H,26,30)(H,27,31)
InChIKey
YUBPQKBFOJVIHN-UHFFFAOYSA-N
Compound name
2-[phenothiazine-10-carbonyl-[2-(propan-2-ylcarbamoyloxy)ethyl]amino]ethyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.20935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.21663 216.6
[M+Na]+ 523.19857 216.1
[M-H]- 499.20207 219.2
[M+NH4]+ 518.24317 223.3
[M+K]+ 539.17251 215.0
[M+H-H2O]+ 483.20661 207.1
[M+HCOO]- 545.20755 227.2
[M+CH3COO]- 559.22320 250.0
[M+Na-2H]- 521.18402 216.3
[M]+ 500.20880 222.3
[M]- 500.20990 222.3
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.