CID 46179632

Tepilamide fumarate

Structural Information

Molecular Formula
C11H17NO5
SMILES
CCN(CC)C(=O)COC(=O)/C=C/C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKey
AKUGRXRLHCCENI-VOTSOKGWSA-N
Compound name
4-O-[2-(diethylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

274
Patents

243.11067 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11795 154.8
[M+Na]+ 266.09989 160.0
[M-H]- 242.10339 156.1
[M+NH4]+ 261.14449 172.5
[M+K]+ 282.07383 161.3
[M+H-H2O]+ 226.10793 148.7
[M+HCOO]- 288.10887 177.7
[M+CH3COO]- 302.12452 196.9
[M+Na-2H]- 264.08534 155.4
[M]+ 243.11012 160.7
[M]- 243.11122 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe