CID 9570778

Brn 1188366

Structural Information

Molecular Formula
C24H31N3O6
SMILES
C/C(=N\OCCN1CCOCC1)/C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H31N3O6/c1-17(26-33-14-11-27-9-12-32-13-10-27)18-5-7-20(8-6-18)25-24(28)19-15-21(29-2)23(31-4)22(16-19)30-3/h5-8,15-16H,9-14H2,1-4H3,(H,25,28)/b26-17+
InChIKey
GXJXYDXZJRCHIN-YZSQISJMSA-N
Compound name
3,4,5-trimethoxy-N-[4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.22128 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.22856 211.4
[M+Na]+ 480.21050 213.3
[M-H]- 456.21400 220.3
[M+NH4]+ 475.25510 216.3
[M+K]+ 496.18444 212.9
[M+H-H2O]+ 440.21854 199.0
[M+HCOO]- 502.21948 230.0
[M+CH3COO]- 516.23513 240.7
[M+Na-2H]- 478.19595 211.2
[M]+ 457.22073 215.7
[M]- 457.22183 215.7
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.