CID 3060899

C 3143

Structural Information

Molecular Formula
C23H33N3O
SMILES
CCN(CC)CCN(C1=C(C=CC=C1C)C)C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C23H33N3O/c1-7-25(8-2)15-16-26(22-19(5)13-10-14-20(22)6)23(27)24-21-17(3)11-9-12-18(21)4/h9-14H,7-8,15-16H2,1-6H3,(H,24,27)
InChIKey
TWOGLBKDSJUFRP-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-1,3-bis(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.26236 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 196.3
[M+Na]+ 390.25158 200.4
[M-H]- 366.25508 205.3
[M+NH4]+ 385.29618 209.5
[M+K]+ 406.22552 198.0
[M+H-H2O]+ 350.25962 186.5
[M+HCOO]- 412.26056 221.0
[M+CH3COO]- 426.27621 236.1
[M+Na-2H]- 388.23703 194.9
[M]+ 367.26181 200.4
[M]- 367.26291 200.4
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.