CID 3085460

Bis(2-methylbutyl) (methylenedi-4,1-phenylene)biscarbamate

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CC[C@@H](C)COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC[C@H](C)CC
InChI
InChI=1S/C25H34N2O4/c1-5-18(3)16-30-24(28)26-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)27-25(29)31-17-19(4)6-2/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,26,28)(H,27,29)/t18-,19-/m1/s1
InChIKey
QZERSIIYAJUVIP-RTBURBONSA-N
Compound name
[(2R)-2-methylbutyl] N-[4-[[4-[[(2R)-2-methylbutoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.25186 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 208.5
[M+Na]+ 449.24108 217.0
[M+NH4]+ 444.28568 212.8
[M+K]+ 465.21502 211.1
[M-H]- 425.24458 211.3
[M+Na-2H]- 447.22653 212.7
[M]+ 426.25131 210.1
[M]- 426.25241 210.1
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.