CID 366294

Nsc634645

Structural Information

Molecular Formula
C28H29N3O3
SMILES
CC1=CC=CC=C1NC(=O)C2=C(N(C(=C(C2C3=CC=CO3)C(=O)NC4=CC=CC=C4C)C)C)C
InChI
InChI=1S/C28H29N3O3/c1-17-11-6-8-13-21(17)29-27(32)24-19(3)31(5)20(4)25(26(24)23-15-10-16-34-23)28(33)30-22-14-9-7-12-18(22)2/h6-16,26H,1-5H3,(H,29,32)(H,30,33)
InChIKey
GJTVPKMVZKYNFP-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-1,2,6-trimethyl-3-N,5-N-bis(2-methylphenyl)-4H-pyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.2209 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.22818 216.7
[M+Na]+ 478.21012 222.7
[M-H]- 454.21362 229.6
[M+NH4]+ 473.25472 223.7
[M+K]+ 494.18406 218.1
[M+H-H2O]+ 438.21816 205.7
[M+HCOO]- 500.21910 236.7
[M+CH3COO]- 514.23475 242.5
[M+Na-2H]- 476.19557 212.7
[M]+ 455.22035 218.7
[M]- 455.22145 218.7
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.