CID 49767256

1-(6-bromo-2-methoxy-3-quinolyl)-2-(2-naphthyl)-1-phenyl-5-pyrrol-1-yl-pentan-2-ol

Structural Information

Molecular Formula
C35H31BrN2O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCCN4C=CC=C4)(C5=CC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C35H31BrN2O2/c1-40-34-31(24-28-23-30(36)16-17-32(28)37-34)33(26-11-3-2-4-12-26)35(39,18-9-21-38-19-7-8-20-38)29-15-14-25-10-5-6-13-27(25)22-29/h2-8,10-17,19-20,22-24,33,39H,9,18,21H2,1H3
InChIKey
XDARDIHXOXJEHA-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-5-pyrrol-1-ylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.15686 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.16414 245.4
[M+Na]+ 613.14608 252.0
[M-H]- 589.14958 256.8
[M+NH4]+ 608.19068 251.4
[M+K]+ 629.12002 238.6
[M+H-H2O]+ 573.15412 240.0
[M+HCOO]- 635.15506 256.9
[M+CH3COO]- 649.17071 251.9
[M+Na-2H]- 611.13153 246.7
[M]+ 590.15631 264.7
[M]- 590.15741 264.7
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.