CID 18083

Brn 1089031

Structural Information

Molecular Formula
C20H31N3O3
SMILES
C1COCCN1CCC(CCN2CCOCC2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C20H31N3O3/c21-19(24)20(18-4-2-1-3-5-18,6-8-22-10-14-25-15-11-22)7-9-23-12-16-26-17-13-23/h1-5H,6-17H2,(H2,21,24)
InChIKey
LFWCBZHUGLQWRZ-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.23654 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 189.3
[M+Na]+ 384.22576 187.9
[M-H]- 360.22926 193.8
[M+NH4]+ 379.27036 194.0
[M+K]+ 400.19970 186.4
[M+H-H2O]+ 344.23380 177.9
[M+HCOO]- 406.23474 198.3
[M+CH3COO]- 420.25039 214.9
[M+Na-2H]- 382.21121 191.2
[M]+ 361.23599 182.1
[M]- 361.23709 182.1
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.