CID 11948101

Schembl12155628

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)CNCC(=O)OC
InChI
InChI=1S/C20H20N2O4/c1-13-7-9-14(10-8-13)22-19-15-5-3-4-6-17(15)26-20(24)16(19)11-21-12-18(23)25-2/h3-10,21-22H,11-12H2,1-2H3
InChIKey
NGSGOGHHKPPYMO-UHFFFAOYSA-N
Compound name
methyl 2-[[4-(4-methylanilino)-2-oxochromen-3-yl]methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 183.1
[M+Na]+ 375.13152 190.3
[M-H]- 351.13502 191.6
[M+NH4]+ 370.17612 195.1
[M+K]+ 391.10546 187.4
[M+H-H2O]+ 335.13956 173.6
[M+HCOO]- 397.14050 206.2
[M+CH3COO]- 411.15615 219.9
[M+Na-2H]- 373.11697 188.6
[M]+ 352.14175 187.3
[M]- 352.14285 187.3
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