CID 3069850

85388-74-5

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CN(C)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O4/c1-5-27-22(26)21-19(14-24(4)15-9-7-6-8-10-15)28-18-12-11-17(25)16(20(18)21)13-23(2)3/h6-12,25H,5,13-14H2,1-4H3
InChIKey
CNGNALRNTGNSIC-UHFFFAOYSA-N
Compound name
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 193.1
[M+Na]+ 405.17849 205.0
[M+NH4]+ 400.22309 199.6
[M+K]+ 421.15243 201.0
[M-H]- 381.18199 199.0
[M+Na-2H]- 403.16394 198.6
[M]+ 382.18872 196.4
[M]- 382.18982 196.4
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.