CID 342112

Bis(2-dimethylaminoethyl) 4,4'-methylenebis(n-phenylcarbamate)

Structural Information

Molecular Formula
C23H32N4O4
SMILES
CN(C)CCOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCCN(C)C
InChI
InChI=1S/C23H32N4O4/c1-26(2)13-15-30-22(28)24-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)25-23(29)31-16-14-27(3)4/h5-12H,13-17H2,1-4H3,(H,24,28)(H,25,29)
InChIKey
VVCGWJVXIUOLJG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[4-[[4-[2-(dimethylamino)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.24237 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.24965 207.3
[M+Na]+ 451.23159 208.2
[M-H]- 427.23509 215.4
[M+NH4]+ 446.27619 216.6
[M+K]+ 467.20553 208.1
[M+H-H2O]+ 411.23963 196.1
[M+HCOO]- 473.24057 232.7
[M+CH3COO]- 487.25622 243.9
[M+Na-2H]- 449.21704 207.2
[M]+ 428.24182 212.5
[M]- 428.24292 212.5
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.