CID 122042

3-(4-maleimidophenyl)-4-methyl-7-(diethylamino)coumarin

Structural Information

Molecular Formula
C24H22N2O4
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O)C
InChI
InChI=1S/C24H22N2O4/c1-4-25(5-2)18-10-11-19-15(3)23(24(29)30-20(19)14-18)16-6-8-17(9-7-16)26-21(27)12-13-22(26)28/h6-14H,4-5H2,1-3H3
InChIKey
YGIABALXNBVHBX-UHFFFAOYSA-N
Compound name
1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

1051
Patents

402.15796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 197.7
[M+Na]+ 425.14718 207.3
[M-H]- 401.15068 210.1
[M+NH4]+ 420.19178 209.2
[M+K]+ 441.12112 203.5
[M+H-H2O]+ 385.15522 187.8
[M+HCOO]- 447.15616 219.3
[M+CH3COO]- 461.17181 231.5
[M+Na-2H]- 423.13263 197.4
[M]+ 402.15741 203.5
[M]- 402.15851 203.5
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