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
4
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]+ 483.227826 220.8
[M+Na]+ 505.209768 223.5
[M-H]- 481.213274 233.8
[M+NH4]+ 500.254373 226.8
[M+K]+ 521.183708 220.4
[M+H-H2O]+ 465.217810 207.7
[M+HCOO]- 527.218751 243.0
[M+CH3COO]- 541.234401 247.1
[M+Na-2H]- 503.195216 220.2
[M]+ 482.22000142 224.3
[M]- 482.22109858 224.3
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.