CID 82306

10029-24-0

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CC(C)(C(=O)OC)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(C)(C)C(=O)OC
InChI
InChI=1S/C23H30N2O4/c1-22(2,20(26)28-5)24-18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)25-23(3,4)21(27)29-6/h7-14,24-25H,15H2,1-6H3
InChIKey
XJQDOEYAAOYHLG-UHFFFAOYSA-N
Compound name
methyl 2-[4-[[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]phenyl]methyl]anilino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

398.22055 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 197.5
[M+Na]+ 421.209768 200.6
[M-H]- 397.213274 203.5
[M+NH4]+ 416.254373 207.6
[M+K]+ 437.183708 198.5
[M+H-H2O]+ 381.217810 188.9
[M+HCOO]- 443.218751 216.8
[M+CH3COO]- 457.234401 229.2
[M+Na-2H]- 419.195216 200.2
[M]+ 398.22000142 200.9
[M]- 398.22109858 200.9
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