CID 3046320

61981-89-3

Structural Information

Molecular Formula
C26H28N4S
SMILES
CCC1=NC2=CC=CC=C2N1CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C26H28N4S/c1-2-26-28-20-10-3-4-11-21(20)30(26)19-17-27-16-9-18-29-22-12-5-7-14-24(22)31-25-15-8-6-13-23(25)29/h3-8,10-15,27H,2,9,16-19H2,1H3
InChIKey
KLKPQICXYKZSFK-UHFFFAOYSA-N
Compound name
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.20346 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21074 201.7
[M+Na]+ 451.19268 210.3
[M-H]- 427.19618 206.5
[M+NH4]+ 446.23728 212.8
[M+K]+ 467.16662 200.9
[M+H-H2O]+ 411.20072 191.1
[M+HCOO]- 473.20166 214.3
[M+CH3COO]- 487.21731 209.8
[M+Na-2H]- 449.17813 205.1
[M]+ 428.20291 206.5
[M]- 428.20401 206.5
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.