CID 3585553

3,3'-(1,5-naphthalenediyl)bis(1,1-diethylurea)

Structural Information

Molecular Formula
C20H28N4O2
SMILES
CCN(CC)C(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)N(CC)CC
InChI
InChI=1S/C20H28N4O2/c1-5-23(6-2)19(25)21-17-13-9-12-16-15(17)11-10-14-18(16)22-20(26)24(7-3)8-4/h9-14H,5-8H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
IRTRNUXQPMXMDV-UHFFFAOYSA-N
Compound name
3-[5-(diethylcarbamoylamino)naphthalen-1-yl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.22122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 189.3
[M+Na]+ 379.21044 192.0
[M-H]- 355.21394 195.5
[M+NH4]+ 374.25504 203.2
[M+K]+ 395.18438 191.0
[M+H-H2O]+ 339.21848 180.1
[M+HCOO]- 401.21942 213.8
[M+CH3COO]- 415.23507 232.6
[M+Na-2H]- 377.19589 191.1
[M]+ 356.22067 192.0
[M]- 356.22177 192.0
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