CID 5053254

N,n'-bis(2-diethylaminoethoxycarbonyl)-4-methyl-1,3-phenylenediamine

Structural Information

Molecular Formula
C21H36N4O4
SMILES
CCN(CC)CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCN(CC)CC
InChI
InChI=1S/C21H36N4O4/c1-6-24(7-2)12-14-28-20(26)22-18-11-10-17(5)19(16-18)23-21(27)29-15-13-25(8-3)9-4/h10-11,16H,6-9,12-15H2,1-5H3,(H,22,26)(H,23,27)
InChIKey
MLPZIFDIEPIDIT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[3-[2-(diethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28093 205.1
[M+Na]+ 431.26287 205.9
[M-H]- 407.26637 210.0
[M+NH4]+ 426.30747 215.9
[M+K]+ 447.23681 206.6
[M+H-H2O]+ 391.27091 195.0
[M+HCOO]- 453.27185 229.9
[M+CH3COO]- 467.28750 242.2
[M+Na-2H]- 429.24832 203.1
[M]+ 408.27310 212.2
[M]- 408.27420 212.2
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