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]+ 483.22783 220.8
[M+Na]+ 505.20977 223.5
[M-H]- 481.21327 233.8
[M+NH4]+ 500.25437 226.8
[M+K]+ 521.18371 220.4
[M+H-H2O]+ 465.21781 207.7
[M+HCOO]- 527.21875 243.0
[M+CH3COO]- 541.23440 247.1
[M+Na-2H]- 503.19522 220.2
[M]+ 482.22000 224.3
[M]- 482.22110 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.