CID 3022068

Gt242

Structural Information

Molecular Formula
C30H39N3O2
SMILES
CC1=CN(C(=C1)C2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)C(=O)NCCCN(C)C)OC
InChI
InChI=1S/C30H39N3O2/c1-22-19-28(25-13-11-24(12-14-25)23-9-6-5-7-10-23)33(21-22)26-15-16-27(29(20-26)35-4)30(34)31-17-8-18-32(2)3/h11-16,19-21,23H,5-10,17-18H2,1-4H3,(H,31,34)
InChIKey
FEFJKBFUAMAVOR-UHFFFAOYSA-N
Compound name
4-[2-(4-cyclohexylphenyl)-4-methylpyrrol-1-yl]-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.30423 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.31151 221.0
[M+Na]+ 496.29345 222.3
[M-H]- 472.29695 232.2
[M+NH4]+ 491.33805 228.5
[M+K]+ 512.26739 217.1
[M+H-H2O]+ 456.30149 208.7
[M+HCOO]- 518.30243 239.5
[M+CH3COO]- 532.31808 247.3
[M+Na-2H]- 494.27890 215.4
[M]+ 473.30368 220.3
[M]- 473.30478 220.3
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

No patent data available for this compound.