CID 139595846

Ibmhc

Structural Information

Molecular Formula
C30H30N2O4
SMILES
CC(C)OC(=O)NN(C1=CC(=CC(=C1)C2=CC=CC=C2)OC)C3=CC(=CC(=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C30H30N2O4/c1-21(2)36-30(33)31-32(26-15-24(17-28(19-26)34-3)22-11-7-5-8-12-22)27-16-25(18-29(20-27)35-4)23-13-9-6-10-14-23/h5-21H,1-4H3,(H,31,33)
InChIKey
KYFSOZFUFINAKJ-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-methoxy-N-(3-methoxy-5-phenylphenyl)-5-phenylanilino)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

482.22055 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.22783 221.9
[M+Na]+ 505.20977 236.7
[M+NH4]+ 500.25437 228.4
[M+K]+ 521.18371 227.9
[M-H]- 481.21327 231.5
[M+Na-2H]- 503.19522 233.4
[M]+ 482.22000 226.8
[M]- 482.22110 226.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.