CID 103805

53554-75-9

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
2
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]+ 389.17070 192.0
[M+Na]+ 411.15264 197.6
[M-H]- 387.15614 195.3
[M+NH4]+ 406.19724 202.1
[M+K]+ 427.12658 197.0
[M+H-H2O]+ 371.16068 177.4
[M+HCOO]- 433.16162 209.0
[M+CH3COO]- 447.17727 233.6
[M+Na-2H]- 409.13809 188.3
[M]+ 388.16287 193.8
[M]- 388.16397 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