CID 384596

Nsc674608

Structural Information

Molecular Formula
C20H33N3O7
SMILES
COC(=O)CN(CC(=O)NCC=C)C1CCCCC1N(CC(=O)OC)CC(=O)OC
InChI
InChI=1S/C20H33N3O7/c1-5-10-21-17(24)11-22(12-18(25)28-2)15-8-6-7-9-16(15)23(13-19(26)29-3)14-20(27)30-4/h5,15-16H,1,6-14H2,2-4H3,(H,21,24)
InChIKey
AKVYEQBKXBJVAE-UHFFFAOYSA-N
Compound name
methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]cyclohexyl]-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.23184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.23912 201.1
[M+Na]+ 450.22106 199.3
[M-H]- 426.22456 204.7
[M+NH4]+ 445.26566 228.4
[M+K]+ 466.19500 202.0
[M+H-H2O]+ 410.22910 192.1
[M+HCOO]- 472.23004 223.3
[M+CH3COO]- 486.24569 239.9
[M+Na-2H]- 448.20651 196.0
[M]+ 427.23129 205.1
[M]- 427.23239 205.1
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.