CID 3024568

Brn 1188339

Structural Information

Molecular Formula
C31H31N3OS
SMILES
C1=CC=C(C=C1)CN(CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5
InChI
InChI=1S/C31H31N3OS/c35-31(34-27-16-7-9-18-29(27)36-30-19-10-8-17-28(30)34)22-32-20-11-21-33(23-25-12-3-1-4-13-25)24-26-14-5-2-6-15-26/h1-10,12-19,32H,11,20-24H2
InChIKey
GPPAGXYUMAJQJB-UHFFFAOYSA-N
Compound name
2-[3-(dibenzylamino)propylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.21878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.22606 217.8
[M+Na]+ 516.20800 232.9
[M+NH4]+ 511.25260 226.8
[M+K]+ 532.18194 219.3
[M-H]- 492.21150 227.3
[M+Na-2H]- 514.19345 228.8
[M]+ 493.21823 223.4
[M]- 493.21933 223.4
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.