CID 100463

65241-12-5

Structural Information

Molecular Formula
C32H30N4O6S
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N(CCOC(=O)NC4=CC=CC=C4)CCOC(=O)NC5=CC=CC=C5
InChI
InChI=1S/C32H30N4O6S/c1-40-25-16-17-29-27(22-25)36(26-14-8-9-15-28(26)43-29)32(39)35(18-20-41-30(37)33-23-10-4-2-5-11-23)19-21-42-31(38)34-24-12-6-3-7-13-24/h2-17,22H,18-21H2,1H3,(H,33,37)(H,34,38)
InChIKey
PARTWQAISQUGCQ-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenothiazine-10-carbonyl)-[2-(phenylcarbamoyloxy)ethyl]amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.1886 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.19588 234.0
[M+Na]+ 621.17782 233.5
[M-H]- 597.18132 242.3
[M+NH4]+ 616.22242 235.3
[M+K]+ 637.15176 230.8
[M+H-H2O]+ 581.18586 221.2
[M+HCOO]- 643.18680 246.7
[M+CH3COO]- 657.20245 263.7
[M+Na-2H]- 619.16327 237.9
[M]+ 598.18805 239.0
[M]- 598.18915 239.0
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.