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 209.5
[M+Na]+ 449.24108 210.5
[M-H]- 425.24458 214.7
[M+NH4]+ 444.28568 218.3
[M+K]+ 465.21502 207.9
[M+H-H2O]+ 409.24912 199.4
[M+HCOO]- 471.25006 229.3
[M+CH3COO]- 485.26571 234.6
[M+Na-2H]- 447.22653 206.4
[M]+ 426.25131 213.2
[M]- 426.25241 213.2
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.