CID 3557550

4,4'-methylenebis(butyl n-phenylcarbamate)

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCCCOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCCCC
InChI
InChI=1S/C23H30N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h7-14H,3-6,15-17H2,1-2H3,(H,24,26)(H,25,27)
InChIKey
BGUPPTZHROQIDH-UHFFFAOYSA-N
Compound name
butyl N-[4-[[4-(butoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

398.22055 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 200.7
[M+Na]+ 421.20977 210.3
[M+NH4]+ 416.25437 205.6
[M+K]+ 437.18371 203.2
[M-H]- 397.21327 204.0
[M+Na-2H]- 419.19522 206.0
[M]+ 398.22000 202.6
[M]- 398.22110 202.6
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

patents stripe