CID 42199

Cr 651

Structural Information

Molecular Formula
C27H37N3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C27H37N3O3/c1-3-4-15-28-27(32)25(29-26(31)23-11-7-21(2)8-12-23)20-22-9-13-24(14-10-22)33-19-18-30-16-5-6-17-30/h7-14,25H,3-6,15-20H2,1-2H3,(H,28,32)(H,29,31)
InChIKey
DZOVTYMVZVBVPJ-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.28348 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.29076 214.1
[M+Na]+ 474.27270 213.3
[M-H]- 450.27620 220.5
[M+NH4]+ 469.31730 221.6
[M+K]+ 490.24664 208.8
[M+H-H2O]+ 434.28074 202.9
[M+HCOO]- 496.28168 232.0
[M+CH3COO]- 510.29733 237.8
[M+Na-2H]- 472.25815 209.7
[M]+ 451.28293 213.6
[M]- 451.28403 213.6
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.