CID 135599708

Brn 2133511

Structural Information

Molecular Formula
C13H20N4O
SMILES
CC1=C(C(=CC=C1)C)N(C)C(=O)N/C=N/N(C)C
InChI
InChI=1S/C13H20N4O/c1-10-7-6-8-11(2)12(10)17(5)13(18)14-9-15-16(3)4/h6-9H,1-5H3,(H,14,15,18)
InChIKey
NXMAPRMMNGDZMM-UHFFFAOYSA-N
Compound name
3-[(E)-(dimethylhydrazinylidene)methyl]-1-(2,6-dimethylphenyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 160.4
[M+Na]+ 271.15293 165.7
[M-H]- 247.15643 168.3
[M+NH4]+ 266.19753 178.7
[M+K]+ 287.12687 166.4
[M+H-H2O]+ 231.16097 152.1
[M+HCOO]- 293.16191 189.7
[M+CH3COO]- 307.17756 214.3
[M+Na-2H]- 269.13838 163.8
[M]+ 248.16316 163.0
[M]- 248.16426 163.0
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.