CID 373418

Nsc649678

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CNC3=CC=CC=C3
InChI
InChI=1S/C19H19NO4/c1-12-14-9-10-16(22-2)18(23-3)17(14)24-19(21)15(12)11-20-13-7-5-4-6-8-13/h4-10,20H,11H2,1-3H3
InChIKey
KSKRCZZRJLZCFZ-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-7,8-dimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.4
[M+Na]+ 348.12062 184.9
[M-H]- 324.12412 184.6
[M+NH4]+ 343.16522 189.4
[M+K]+ 364.09456 182.4
[M+H-H2O]+ 308.12866 166.5
[M+HCOO]- 370.12960 198.8
[M+CH3COO]- 384.14525 213.4
[M+Na-2H]- 346.10607 181.5
[M]+ 325.13085 181.8
[M]- 325.13195 181.8
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

No patent data available for this compound.