CID 3075308

174657-60-4

Structural Information

Molecular Formula
C29H29N3O2
SMILES
COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N(C3=C2C5=CC=CC=C5)CCN6CCOCC6
InChI
InChI=1S/C29H29N3O2/c1-33-24-13-11-22(12-14-24)25-21-32-27-10-6-5-9-26(27)31(16-15-30-17-19-34-20-18-30)29(32)28(25)23-7-3-2-4-8-23/h2-14,21H,15-20H2,1H3
InChIKey
XXVDKJPETCFDNC-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-methoxyphenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.22598 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.23326 210.7
[M+Na]+ 474.21520 218.6
[M-H]- 450.21870 222.1
[M+NH4]+ 469.25980 218.7
[M+K]+ 490.18914 211.5
[M+H-H2O]+ 434.22324 198.3
[M+HCOO]- 496.22418 226.8
[M+CH3COO]- 510.23983 219.0
[M+Na-2H]- 472.20065 209.3
[M]+ 451.22543 213.3
[M]- 451.22653 213.3
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

patents stripe