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]+ 427.259136 209.5
[M+Na]+ 449.241078 210.5
[M-H]- 425.244584 214.7
[M+NH4]+ 444.285683 218.3
[M+K]+ 465.215018 207.9
[M+H-H2O]+ 409.249120 199.4
[M+HCOO]- 471.250061 229.3
[M+CH3COO]- 485.265711 234.6
[M+Na-2H]- 447.226526 206.4
[M]+ 426.25131142 213.2
[M]- 426.25240858 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.