CID 3075557

185759-14-2

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CC1=CC=C(C=C1)C2CN(CCO2)CCOC(=O)N3CCOCC3
InChI
InChI=1S/C18H26N2O4/c1-15-2-4-16(5-3-15)17-14-19(6-12-23-17)7-13-24-18(21)20-8-10-22-11-9-20/h2-5,17H,6-14H2,1H3
InChIKey
QRSWNJLPVVXBFF-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 182.4
[M+Na]+ 357.178488 184.2
[M-H]- 333.181994 188.5
[M+NH4]+ 352.223093 189.5
[M+K]+ 373.152428 183.7
[M+H-H2O]+ 317.186530 171.2
[M+HCOO]- 379.187471 193.4
[M+CH3COO]- 393.203121 207.3
[M+Na-2H]- 355.163936 183.2
[M]+ 334.18872142 178.7
[M]- 334.18981858 178.7
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.