CID 3084557

4,4'-bis(diethylaminoethylcarbamate)diphenylmethane

Structural Information

Molecular Formula
C27H40N4O4
SMILES
CCN(CC)CCOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCCN(CC)CC
InChI
InChI=1S/C27H40N4O4/c1-5-30(6-2)17-19-34-26(32)28-24-13-9-22(10-14-24)21-23-11-15-25(16-12-23)29-27(33)35-20-18-31(7-3)8-4/h9-16H,5-8,17-21H2,1-4H3,(H,28,32)(H,29,33)
InChIKey
MYMGSAARWXWCAZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[4-[[4-[2-(diethylamino)ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.30496 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.312236 224.9
[M+Na]+ 507.294178 223.9
[M-H]- 483.297684 232.1
[M+NH4]+ 502.338783 231.8
[M+K]+ 523.268118 223.0
[M+H-H2O]+ 467.302220 212.9
[M+HCOO]- 529.303161 248.9
[M+CH3COO]- 543.318811 255.4
[M+Na-2H]- 505.279626 222.7
[M]+ 484.30441142 231.3
[M]- 484.30550858 231.3
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.