CID 368958

Nsc640363

Structural Information

Molecular Formula
C25H17N5O6
SMILES
CC1=C(C=C(C(=N1)C)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)C(=O)NC4=CC=CC5=C4C(=O)NC5=O
InChI
InChI=1S/C25H17N5O6/c1-10-14(22(33)27-16-7-3-5-12-18(16)24(35)29-20(12)31)9-15(11(2)26-10)23(34)28-17-8-4-6-13-19(17)25(36)30-21(13)32/h3-9H,1-2H3,(H,27,33)(H,28,34)(H,29,31,35)(H,30,32,36)
InChIKey
WYTKVPXXEUURGN-UHFFFAOYSA-N
Compound name
3-N,5-N-bis(1,3-dioxoisoindol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1179 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.12518 211.4
[M+Na]+ 506.10712 218.8
[M-H]- 482.11062 218.7
[M+NH4]+ 501.15172 218.1
[M+K]+ 522.08106 212.9
[M+H-H2O]+ 466.11516 202.8
[M+HCOO]- 528.11610 226.1
[M+CH3COO]- 542.13175 242.6
[M+Na-2H]- 504.09257 207.9
[M]+ 483.11735 211.4
[M]- 483.11845 211.4
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

No patent data available for this compound.