CID 103805

Einecs 258-624-6

Structural Information

Molecular Formula
C20H24N2O6
SMILES
CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)C=C(C#N)C(=O)OC
InChI
InChI=1S/C20H24N2O6/c1-14-11-19(6-5-17(14)12-18(13-21)20(25)26-4)22(7-9-27-15(2)23)8-10-28-16(3)24/h5-6,11-12H,7-10H2,1-4H3
InChIKey
IJSRGFRRTNHCNS-UHFFFAOYSA-N
Compound name
methyl 3-[4-[bis(2-acetyloxyethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

388.16342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.170696 192.0
[M+Na]+ 411.152638 197.6
[M-H]- 387.156144 195.3
[M+NH4]+ 406.197243 202.1
[M+K]+ 427.126578 197.0
[M+H-H2O]+ 371.160680 177.4
[M+HCOO]- 433.161621 209.0
[M+CH3COO]- 447.177271 233.6
[M+Na-2H]- 409.138086 188.3
[M]+ 388.16287142 193.8
[M]- 388.16396858 193.8
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