CID 3060933

C 3215

Structural Information

Molecular Formula
C16H27N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(CCN(C)C)C(C)C
InChI
InChI=1S/C16H27N3O/c1-12(2)19(11-10-18(5)6)16(20)17-15-13(3)8-7-9-14(15)4/h7-9,12H,10-11H2,1-6H3,(H,17,20)
InChIKey
XGECTJZXVCQJIU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 171.6
[M+Na]+ 300.20464 175.5
[M-H]- 276.20814 177.7
[M+NH4]+ 295.24924 188.5
[M+K]+ 316.17858 175.7
[M+H-H2O]+ 260.21268 163.6
[M+HCOO]- 322.21362 196.3
[M+CH3COO]- 336.22927 218.1
[M+Na-2H]- 298.19009 171.4
[M]+ 277.21487 174.4
[M]- 277.21597 174.4
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

No patent data available for this compound.