CID 3075310

174657-62-6

Structural Information

Molecular Formula
C28H27N3O2
SMILES
C1COCCN1CCN2C3=CC=CC=C3N4C2=C(C(=C4)C5=CC=C(C=C5)O)C6=CC=CC=C6
InChI
InChI=1S/C28H27N3O2/c32-23-12-10-21(11-13-23)24-20-31-26-9-5-4-8-25(26)30(15-14-29-16-18-33-19-17-29)28(31)27(24)22-6-2-1-3-7-22/h1-13,20,32H,14-19H2
InChIKey
ZXUKVORZVINVEM-UHFFFAOYSA-N
Compound name
4-[4-(2-morpholin-4-ylethyl)-3-phenylpyrrolo[1,2-a]benzimidazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.21033 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21761 205.3
[M+Na]+ 460.19955 213.3
[M-H]- 436.20305 215.7
[M+NH4]+ 455.24415 213.4
[M+K]+ 476.17349 205.7
[M+H-H2O]+ 420.20759 193.6
[M+HCOO]- 482.20853 220.4
[M+CH3COO]- 496.22418 213.6
[M+Na-2H]- 458.18500 204.4
[M]+ 437.20978 206.1
[M]- 437.21088 206.1
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.