CID 3022069

Gt243

Structural Information

Molecular Formula
C32H43N3O2
SMILES
CCN(CC)CCCNC(=O)C1=C(C=C(C=C1)N2C=C(C=C2C3=CC=C(C=C3)C4CCCCC4)C)OC
InChI
InChI=1S/C32H43N3O2/c1-5-34(6-2)20-10-19-33-32(36)29-18-17-28(22-31(29)37-4)35-23-24(3)21-30(35)27-15-13-26(14-16-27)25-11-8-7-9-12-25/h13-18,21-23,25H,5-12,19-20H2,1-4H3,(H,33,36)
InChIKey
REBSNJKNOLJEAL-UHFFFAOYSA-N
Compound name
4-[2-(4-cyclohexylphenyl)-4-methylpyrrol-1-yl]-N-[3-(diethylamino)propyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.33554 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.34282 229.5
[M+Na]+ 524.32476 229.8
[M-H]- 500.32826 240.3
[M+NH4]+ 519.36936 235.8
[M+K]+ 540.29870 224.3
[M+H-H2O]+ 484.33280 216.9
[M+HCOO]- 546.33374 247.3
[M+CH3COO]- 560.34939 253.0
[M+Na-2H]- 522.31021 223.0
[M]+ 501.33499 229.5
[M]- 501.33609 229.5
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.