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

51
Patents

398.22055 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 199.9
[M+Na]+ 421.209768 202.3
[M-H]- 397.213274 205.3
[M+NH4]+ 416.254373 209.9
[M+K]+ 437.183708 198.9
[M+H-H2O]+ 381.217810 189.8
[M+HCOO]- 443.218751 222.4
[M+CH3COO]- 457.234401 227.0
[M+Na-2H]- 419.195216 200.1
[M]+ 398.22000142 204.0
[M]- 398.22109858 204.0
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