CID 93302

N-(7-dimethylamino-4-methyl-3-coumarinyl)maleimide

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N(C)C)N3C(=O)C=CC3=O
InChI
InChI=1S/C16H14N2O4/c1-9-11-5-4-10(17(2)3)8-12(11)22-16(21)15(9)18-13(19)6-7-14(18)20/h4-8H,1-3H3
InChIKey
ADEORFBTPGKHRP-UHFFFAOYSA-N
Compound name
1-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

88
References

1167
Patents

298.09537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 164.9
[M+Na]+ 321.08459 176.2
[M-H]- 297.08809 174.8
[M+NH4]+ 316.12919 181.3
[M+K]+ 337.05853 174.3
[M+H-H2O]+ 281.09263 157.4
[M+HCOO]- 343.09357 188.3
[M+CH3COO]- 357.10922 210.3
[M+Na-2H]- 319.07004 167.8
[M]+ 298.09482 170.5
[M]- 298.09592 170.5
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