CID 56644482

1356331-63-9

Structural Information

Molecular Formula
C28H33N3O2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(N=C2C4=CC=C(C=C4)C)N(CCC3)CCCCCCC(=O)O
InChI
InChI=1S/C28H33N3O2/c1-20-10-14-22(15-11-20)26-27(23-16-12-21(2)13-17-23)30-28-24(29-26)8-7-19-31(28)18-6-4-3-5-9-25(32)33/h10-17H,3-9,18-19H2,1-2H3,(H,32,33)
InChIKey
AYBWWXMNUCPFMW-UHFFFAOYSA-N
Compound name
7-[2,3-bis(4-methylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

443.25726 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.26454 215.6
[M+Na]+ 466.24648 231.1
[M+NH4]+ 461.29108 221.8
[M+K]+ 482.22042 221.2
[M-H]- 442.24998 220.8
[M+Na-2H]- 464.23193 222.7
[M]+ 443.25671 219.4
[M]- 443.25781 219.4
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

patents stripe