CID 3075314

174657-66-0

Structural Information

Molecular Formula
C30H31N3O3
SMILES
COC1=C(C=C(C=C1)C2=C3N(C=C2C4=CC=CC=C4)C5=CC=CC=C5N3CCN6CCOCC6)OC
InChI
InChI=1S/C30H31N3O3/c1-34-27-13-12-23(20-28(27)35-2)29-24(22-8-4-3-5-9-22)21-33-26-11-7-6-10-25(26)32(30(29)33)15-14-31-16-18-36-19-17-31/h3-13,20-21H,14-19H2,1-2H3
InChIKey
NIEBHWWAGSAFJW-UHFFFAOYSA-N
Compound name
4-[2-[3-(3,4-dimethoxyphenyl)-2-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.23654 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.24382 218.8
[M+Na]+ 504.22576 226.7
[M-H]- 480.22926 230.5
[M+NH4]+ 499.27036 225.8
[M+K]+ 520.19970 220.3
[M+H-H2O]+ 464.23380 206.4
[M+HCOO]- 526.23474 234.6
[M+CH3COO]- 540.25039 226.8
[M+Na-2H]- 502.21121 216.4
[M]+ 481.23599 223.4
[M]- 481.23709 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

literature stripe

Patent stripe

patents stripe