CID 6828

1,3-diethyl-1,3-diphenylurea

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey
PZIMIYVOZBTARW-UHFFFAOYSA-N
Compound name
1,3-diethyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

2167
Patents

268.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.164836 165.0
[M+Na]+ 291.146778 168.9
[M-H]- 267.150284 173.7
[M+NH4]+ 286.191383 181.4
[M+K]+ 307.120718 167.5
[M+H-H2O]+ 251.154820 155.9
[M+HCOO]- 313.155761 190.8
[M+CH3COO]- 327.171411 208.4
[M+Na-2H]- 289.132226 169.4
[M]+ 268.15701142 166.1
[M]- 268.15810858 166.1
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