CID 47563

65241-01-2

Structural Information

Molecular Formula
C27H36N4O5S
SMILES
CCCCNC(=O)OCCN(CCOC(=O)NCCCC)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C27H36N4O5S/c1-3-5-15-28-25(32)35-19-17-30(18-20-36-26(33)29-16-6-4-2)27(34)31-21-11-7-9-13-23(21)37-24-14-10-8-12-22(24)31/h7-14H,3-6,15-20H2,1-2H3,(H,28,32)(H,29,33)
InChIKey
VCDBWVRRINRUOV-UHFFFAOYSA-N
Compound name
2-[2-(butylcarbamoyloxy)ethyl-(phenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.24066 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.24794 224.2
[M+Na]+ 551.22988 230.1
[M+NH4]+ 546.27448 227.8
[M+K]+ 567.20382 222.6
[M-H]- 527.23338 225.4
[M+Na-2H]- 549.21533 225.7
[M]+ 528.24011 225.2
[M]- 528.24121 225.2
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.