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]+ 335.19655 182.4
[M+Na]+ 357.17849 184.2
[M-H]- 333.18199 188.5
[M+NH4]+ 352.22309 189.5
[M+K]+ 373.15243 183.7
[M+H-H2O]+ 317.18653 171.2
[M+HCOO]- 379.18747 193.4
[M+CH3COO]- 393.20312 207.3
[M+Na-2H]- 355.16394 183.2
[M]+ 334.18872 178.7
[M]- 334.18982 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.