CID 164072

Tilnoprofen arbamel

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CC1=NC2=C(CC3=C(O2)C=CC(=C3)C(C)C(=O)OCC(=O)N(C)C)C=C1
InChI
InChI=1S/C20H22N2O4/c1-12-5-6-15-10-16-9-14(7-8-17(16)26-19(15)21-12)13(2)20(24)25-11-18(23)22(3)4/h5-9,13H,10-11H2,1-4H3
InChIKey
ZAKRMJAETCUYKK-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-2-oxoethyl] 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

323
Patents

354.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.4
[M+Na]+ 377.14718 190.1
[M-H]- 353.15068 189.8
[M+NH4]+ 372.19178 196.7
[M+K]+ 393.12112 189.5
[M+H-H2O]+ 337.15522 175.3
[M+HCOO]- 399.15616 200.6
[M+CH3COO]- 413.17181 222.6
[M+Na-2H]- 375.13263 187.0
[M]+ 354.15741 189.1
[M]- 354.15851 189.1
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