CID 3049788

Brn 1199545

Structural Information

Molecular Formula
C31H28N4O5S
SMILES
C1=CC=C(C=C1)NC(=O)OCCN(CCOC(=O)NC2=CC=CC=C2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C31H28N4O5S/c36-29(32-23-11-3-1-4-12-23)39-21-19-34(20-22-40-30(37)33-24-13-5-2-6-14-24)31(38)35-25-15-7-9-17-27(25)41-28-18-10-8-16-26(28)35/h1-18H,19-22H2,(H,32,36)(H,33,37)
InChIKey
CCEWDUXKMRSQIP-UHFFFAOYSA-N
Compound name
2-[phenothiazine-10-carbonyl-[2-(phenylcarbamoyloxy)ethyl]amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.17804 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.18532 226.5
[M+Na]+ 591.16726 226.1
[M-H]- 567.17076 234.7
[M+NH4]+ 586.21186 229.0
[M+K]+ 607.14120 222.5
[M+H-H2O]+ 551.17530 214.0
[M+HCOO]- 613.17624 239.6
[M+CH3COO]- 627.19189 230.7
[M+Na-2H]- 589.15271 231.2
[M]+ 568.17749 229.5
[M]- 568.17859 229.5
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.