CID 3084557

32022-53-0

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 224.4
[M+Na]+ 507.29418 230.9
[M+NH4]+ 502.33878 227.9
[M+K]+ 523.26812 224.7
[M-H]- 483.29768 228.5
[M+Na-2H]- 505.27963 228.6
[M]+ 484.30441 225.9
[M]- 484.30551 225.9
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.