CID 70700787

2,6-dimethyl-4-quinolinecarboxylic acid n-hydroxysuccinimide ester

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H14N2O4/c1-9-3-4-13-11(7-9)12(8-10(2)17-13)16(21)22-18-14(19)5-6-15(18)20/h3-4,7-8H,5-6H2,1-2H3
InChIKey
HDQNGUNXGKGYSR-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 166.4
[M+Na]+ 321.08459 176.1
[M-H]- 297.08809 172.1
[M+NH4]+ 316.12919 181.9
[M+K]+ 337.05853 172.4
[M+H-H2O]+ 281.09263 158.3
[M+HCOO]- 343.09357 185.4
[M+CH3COO]- 357.10922 203.7
[M+Na-2H]- 319.07004 167.3
[M]+ 298.09482 168.8
[M]- 298.09592 168.8
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.