CID 3052303

Urea, n-(2,6-dimethylphenyl)-n'-(4,5,6,7-tetrahydro-1h-1,3-diazepin-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCCCN2
InChI
InChI=1S/C14H20N4O/c1-10-6-5-7-11(2)12(10)17-14(19)18-13-15-8-3-4-9-16-13/h5-7H,3-4,8-9H2,1-2H3,(H3,15,16,17,18,19)
InChIKey
NWXGSXMUSRWBRF-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.1637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 162.0
[M+Na]+ 283.15292 170.4
[M+NH4]+ 278.19752 167.7
[M+K]+ 299.12686 166.3
[M-H]- 259.15642 164.5
[M+Na-2H]- 281.13837 167.9
[M]+ 260.16315 163.6
[M]- 260.16425 163.6
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