CID 9570061

Nsc637637

Structural Information

Molecular Formula
C37H38N6O8
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1O)/C(C(=O)NC2=CC=CC=C2OC)CC(C(=O)NC3=CC=CC=C3OC)/C(=N/NC(=O)C4=CC=CC=C4O)/C
InChI
InChI=1S/C37H38N6O8/c1-22(40-42-36(48)24-13-5-9-17-30(24)44)26(34(46)38-28-15-7-11-19-32(28)50-3)21-27(35(47)39-29-16-8-12-20-33(29)51-4)23(2)41-43-37(49)25-14-6-10-18-31(25)45/h5-20,26-27,44-45H,21H2,1-4H3,(H,38,46)(H,39,47)(H,42,48)(H,43,49)/b40-22+,41-23+
InChIKey
LCHRMSTXLDFVTB-SKPVJXRPSA-N
Compound name
2,4-bis[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-N,N'-bis(2-methoxyphenyl)pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.2751 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.28238 262.6
[M+Na]+ 717.26432 267.8
[M-H]- 693.26782 266.7
[M+NH4]+ 712.30892 267.2
[M+K]+ 733.23826 259.7
[M+H-H2O]+ 677.27236 245.9
[M+HCOO]- 739.27330 268.0
[M+CH3COO]- 753.28895 293.8
[M+Na-2H]- 715.24977 296.1
[M]+ 694.27455 305.3
[M]- 694.27565 305.3
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.