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]+ 485.31224 224.9
[M+Na]+ 507.29418 223.9
[M-H]- 483.29768 232.1
[M+NH4]+ 502.33878 231.8
[M+K]+ 523.26812 223.0
[M+H-H2O]+ 467.30222 212.9
[M+HCOO]- 529.30316 248.9
[M+CH3COO]- 543.31881 255.4
[M+Na-2H]- 505.27963 222.7
[M]+ 484.30441 231.3
[M]- 484.30551 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.