CID 3046316

10-(3-((2-(2-methyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)phenothiazine oxalate

Structural Information

Molecular Formula
C26H28N4S
SMILES
CC1=NC2=CC=CC=C2N1CCNCC(C)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C26H28N4S/c1-19(17-27-15-16-29-20(2)28-21-9-3-4-10-22(21)29)18-30-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)30/h3-14,19,27H,15-18H2,1-2H3
InChIKey
DCEGUNVMGLBVMD-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-(2-methylbenzimidazol-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 202.3
[M+Na]+ 451.19268 210.5
[M-H]- 427.19618 207.2
[M+NH4]+ 446.23728 213.3
[M+K]+ 467.16662 201.7
[M+H-H2O]+ 411.20072 192.0
[M+HCOO]- 473.20166 213.8
[M+CH3COO]- 487.21731 210.2
[M+Na-2H]- 449.17813 204.8
[M]+ 428.20291 206.7
[M]- 428.20401 206.7
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.