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]+ 399.22783 199.9
[M+Na]+ 421.20977 202.3
[M-H]- 397.21327 205.3
[M+NH4]+ 416.25437 209.9
[M+K]+ 437.18371 198.9
[M+H-H2O]+ 381.21781 189.8
[M+HCOO]- 443.21875 222.4
[M+CH3COO]- 457.23440 227.0
[M+Na-2H]- 419.19522 200.1
[M]+ 398.22000 204.0
[M]- 398.22110 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