CID 117003

N,n''-1,4-phenylenebis(n',n'-diethylurea)

Structural Information

Molecular Formula
C16H26N4O2
SMILES
CCN(CC)C(=O)NC1=CC=C(C=C1)NC(=O)N(CC)CC
InChI
InChI=1S/C16H26N4O2/c1-5-19(6-2)15(21)17-13-9-11-14(12-10-13)18-16(22)20(7-3)8-4/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,22)
InChIKey
XCBNPCMZAAOVLO-UHFFFAOYSA-N
Compound name
3-[4-(diethylcarbamoylamino)phenyl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

306.20557 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21285 177.9
[M+Na]+ 329.19479 180.2
[M-H]- 305.19829 183.5
[M+NH4]+ 324.23939 192.7
[M+K]+ 345.16873 180.6
[M+H-H2O]+ 289.20283 168.9
[M+HCOO]- 351.20377 203.9
[M+CH3COO]- 365.21942 222.0
[M+Na-2H]- 327.18024 178.8
[M]+ 306.20502 180.0
[M]- 306.20612 180.0
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