CID 3046318

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

Structural Information

Molecular Formula
C32H32N4S
SMILES
CC(CNCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64
InChI
InChI=1S/C32H32N4S/c1-24(23-36-28-15-7-9-17-30(28)37-31-18-10-8-16-29(31)36)22-33-19-20-35-27-14-6-5-13-26(27)34-32(35)21-25-11-3-2-4-12-25/h2-18,24,33H,19-23H2,1H3
InChIKey
ALKUTKFLOZIHDJ-UHFFFAOYSA-N
Compound name
N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.23477 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24205 220.3
[M+Na]+ 527.22399 226.7
[M-H]- 503.22749 227.4
[M+NH4]+ 522.26859 227.2
[M+K]+ 543.19793 216.5
[M+H-H2O]+ 487.23203 208.0
[M+HCOO]- 549.23297 230.8
[M+CH3COO]- 563.24862 226.3
[M+Na-2H]- 525.20944 222.2
[M]+ 504.23422 223.4
[M]- 504.23532 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.