CID 3025283

C 6602

Structural Information

Molecular Formula
C16H27N3O2
SMILES
CCN(CC)CCNC(=O)N(C)CCOC1=CC=CC=C1
InChI
InChI=1S/C16H27N3O2/c1-4-19(5-2)12-11-17-16(20)18(3)13-14-21-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,17,20)
InChIKey
QPXNDIAYIZCYQC-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

293.21033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.21761 173.8
[M+Na]+ 316.19955 181.5
[M+NH4]+ 311.24415 180.1
[M+K]+ 332.17349 175.7
[M-H]- 292.20305 176.7
[M+Na-2H]- 314.18500 178.7
[M]+ 293.20978 175.3
[M]- 293.21088 175.3
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