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]+ 278.222696 171.6
[M+Na]+ 300.204638 175.5
[M-H]- 276.208144 177.7
[M+NH4]+ 295.249243 188.5
[M+K]+ 316.178578 175.7
[M+H-H2O]+ 260.212680 163.6
[M+HCOO]- 322.213621 196.3
[M+CH3COO]- 336.229271 218.1
[M+Na-2H]- 298.190086 171.4
[M]+ 277.21487142 174.4
[M]- 277.21596858 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.