CID 24834322

Gt241

Structural Information

Molecular Formula
C31H39N3O3
SMILES
CC1=CN(C(=C1)C2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)C(=O)NCCN5CCOCC5)OC
InChI
InChI=1S/C31H39N3O3/c1-23-20-29(26-10-8-25(9-11-26)24-6-4-3-5-7-24)34(22-23)27-12-13-28(30(21-27)36-2)31(35)32-14-15-33-16-18-37-19-17-33/h8-13,20-22,24H,3-7,14-19H2,1-2H3,(H,32,35)
InChIKey
LEYNANGYFATJTF-UHFFFAOYSA-N
Compound name
4-[2-(4-cyclohexylphenyl)-4-methylpyrrol-1-yl]-2-methoxy-N-(2-morpholin-4-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.29913 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.30641 226.0
[M+Na]+ 524.28835 225.8
[M-H]- 500.29185 237.2
[M+NH4]+ 519.33295 228.3
[M+K]+ 540.26229 220.5
[M+H-H2O]+ 484.29639 212.2
[M+HCOO]- 546.29733 237.3
[M+CH3COO]- 560.31298 230.5
[M+Na-2H]- 522.27380 219.6
[M]+ 501.29858 220.5
[M]- 501.29968 220.5
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.