CID 3054150

Ita 376

Structural Information

Molecular Formula
C19H29N3O3
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC(=O)NCN2CCOCC2
InChI
InChI=1S/C19H29N3O3/c1-14(2)12-16-4-6-17(7-5-16)15(3)18(23)21-19(24)20-13-22-8-10-25-11-9-22/h4-7,14-15H,8-13H2,1-3H3,(H2,20,21,23,24)
InChIKey
GNOHYLOUYQCJFX-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)phenyl]-N-(morpholin-4-ylmethylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.2209 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22818 188.4
[M+Na]+ 370.21012 188.5
[M-H]- 346.21362 192.5
[M+NH4]+ 365.25472 197.4
[M+K]+ 386.18406 187.5
[M+H-H2O]+ 330.21816 178.7
[M+HCOO]- 392.21910 203.6
[M+CH3COO]- 406.23475 218.3
[M+Na-2H]- 368.19557 187.1
[M]+ 347.22035 185.2
[M]- 347.22145 185.2
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

patents stripe