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 174.5
[M+Na]+ 316.19955 176.6
[M-H]- 292.20305 179.5
[M+NH4]+ 311.24415 190.0
[M+K]+ 332.17349 176.7
[M+H-H2O]+ 276.20759 165.5
[M+HCOO]- 338.20853 200.4
[M+CH3COO]- 352.22418 216.8
[M+Na-2H]- 314.18500 177.0
[M]+ 293.20978 178.5
[M]- 293.21088 178.5
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