CID 99645

N,n''-naphthalene-1,5-diylbis[n',n'-dimethylurea]

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CN(C)C(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)N(C)C
InChI
InChI=1S/C16H20N4O2/c1-19(2)15(21)17-13-9-5-8-12-11(13)7-6-10-14(12)18-16(22)20(3)4/h5-10H,1-4H3,(H,17,21)(H,18,22)
InChIKey
UETWDALPWUJVBV-UHFFFAOYSA-N
Compound name
3-[5-(dimethylcarbamoylamino)naphthalen-1-yl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

300.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 170.9
[M+Na]+ 323.14785 175.4
[M-H]- 299.15135 178.0
[M+NH4]+ 318.19245 187.1
[M+K]+ 339.12179 175.3
[M+H-H2O]+ 283.15589 162.5
[M+HCOO]- 345.15683 196.8
[M+CH3COO]- 359.17248 220.8
[M+Na-2H]- 321.13330 174.8
[M]+ 300.15808 172.3
[M]- 300.15918 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe