CID 117638

25790-28-7

Structural Information

Molecular Formula
C15H21NO6
SMILES
CC1=CC(=CC=C1)N(CCOC(=O)OC)CCOC(=O)OC
InChI
InChI=1S/C15H21NO6/c1-12-5-4-6-13(11-12)16(7-9-21-14(17)19-2)8-10-22-15(18)20-3/h4-6,11H,7-10H2,1-3H3
InChIKey
AIKNSKGNNYHMPF-UHFFFAOYSA-N
Compound name
2-[N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

311.1369 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14418 171.3
[M+Na]+ 334.12612 176.1
[M-H]- 310.12962 175.8
[M+NH4]+ 329.17072 186.2
[M+K]+ 350.10006 177.5
[M+H-H2O]+ 294.13416 163.3
[M+HCOO]- 356.13510 195.2
[M+CH3COO]- 370.15075 208.5
[M+Na-2H]- 332.11157 173.0
[M]+ 311.13635 180.0
[M]- 311.13745 180.0
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