CID 3075306

174657-59-1

Structural Information

Molecular Formula
C28H26ClN3O
SMILES
C1COCCN1CCN2C3=CC=CC=C3N4C2=C(C(=C4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C28H26ClN3O/c29-23-12-10-21(11-13-23)24-20-32-26-9-5-4-8-25(26)31(15-14-30-16-18-33-19-17-30)28(32)27(24)22-6-2-1-3-7-22/h1-13,20H,14-19H2
InChIKey
HSFCPDZNZQPRIX-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.17645 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.18373 212.5
[M+Na]+ 478.16567 221.9
[M-H]- 454.16917 223.5
[M+NH4]+ 473.21027 221.4
[M+K]+ 494.13961 213.1
[M+H-H2O]+ 438.17371 200.0
[M+HCOO]- 500.17465 224.1
[M+CH3COO]- 514.19030 220.9
[M+Na-2H]- 476.15112 210.7
[M]+ 455.17590 215.9
[M]- 455.17700 215.9
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.