CID 3025451

Brn 0053780

Structural Information

Molecular Formula
C25H27N3S
SMILES
C1CN(CCN1CCN2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5
InChI
InChI=1S/C25H27N3S/c1-2-8-21(9-3-1)20-27-16-14-26(15-17-27)18-19-28-22-10-4-6-12-24(22)29-25-13-7-5-11-23(25)28/h1-13H,14-20H2
InChIKey
FDKWHSBJESCTKR-UHFFFAOYSA-N
Compound name
10-[2-(4-benzylpiperazin-1-yl)ethyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.19257 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19985 195.1
[M+Na]+ 424.18179 200.0
[M-H]- 400.18529 200.0
[M+NH4]+ 419.22639 203.4
[M+K]+ 440.15573 191.1
[M+H-H2O]+ 384.18983 182.5
[M+HCOO]- 446.19077 202.0
[M+CH3COO]- 460.20642 201.5
[M+Na-2H]- 422.16724 197.4
[M]+ 401.19202 191.5
[M]- 401.19312 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.