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

13
Patents

293.21033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.217606 174.5
[M+Na]+ 316.199548 176.6
[M-H]- 292.203054 179.5
[M+NH4]+ 311.244153 190.0
[M+K]+ 332.173488 176.7
[M+H-H2O]+ 276.207590 165.5
[M+HCOO]- 338.208531 200.4
[M+CH3COO]- 352.224181 216.8
[M+Na-2H]- 314.184996 177.0
[M]+ 293.20978142 178.5
[M]- 293.21087858 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