CID 42187

Cr 648

Structural Information

Molecular Formula
C26H35N3O3
SMILES
CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H35N3O3/c1-2-3-15-27-26(31)24(28-25(30)22-9-5-4-6-10-22)20-21-11-13-23(14-12-21)32-19-18-29-16-7-8-17-29/h4-6,9-14,24H,2-3,7-8,15-20H2,1H3,(H,27,31)(H,28,30)
InChIKey
XMRQJHWFBPDDTR-UHFFFAOYSA-N
Compound name
N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.26785 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.27513 209.2
[M+Na]+ 460.25707 207.9
[M-H]- 436.26057 215.3
[M+NH4]+ 455.30167 216.9
[M+K]+ 476.23101 203.6
[M+H-H2O]+ 420.26511 197.9
[M+HCOO]- 482.26605 227.4
[M+CH3COO]- 496.28170 233.6
[M+Na-2H]- 458.24252 206.0
[M]+ 437.26730 207.9
[M]- 437.26840 207.9
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.