CID 1526581

1-(2-dimethylaminoethyl)-3-phenylurea

Structural Information

Molecular Formula
C11H17N3O
SMILES
CN(C)CCNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H17N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,15)
InChIKey
ZXMKJJBVCQPHGU-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

207.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.0
[M+Na]+ 230.12638 152.2
[M-H]- 206.12988 152.5
[M+NH4]+ 225.17098 166.4
[M+K]+ 246.10032 151.5
[M+H-H2O]+ 190.13442 140.4
[M+HCOO]- 252.13536 174.8
[M+CH3COO]- 266.15101 196.3
[M+Na-2H]- 228.11183 153.9
[M]+ 207.13661 147.5
[M]- 207.13771 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe