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

5
Patents

428.24237 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.249646 207.3
[M+Na]+ 451.231588 208.2
[M-H]- 427.235094 215.4
[M+NH4]+ 446.276193 216.6
[M+K]+ 467.205528 208.1
[M+H-H2O]+ 411.239630 196.1
[M+HCOO]- 473.240571 232.7
[M+CH3COO]- 487.256221 243.9
[M+Na-2H]- 449.217036 207.2
[M]+ 428.24182142 212.5
[M]- 428.24291858 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

patents stripe