CID 135599713

Brn 2160695

Structural Information

Molecular Formula
C16H26N4O2
SMILES
CCCCCCON/N=C/NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26N4O2/c1-4-5-6-7-11-22-20-18-12-17-16(21)19-15-13(2)9-8-10-14(15)3/h8-10,12,20H,4-7,11H2,1-3H3,(H2,17,18,19,21)
InChIKey
VUGKKIPFDTUMLN-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(hexoxyhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.20557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21285 174.6
[M+Na]+ 329.19479 178.1
[M-H]- 305.19829 178.9
[M+NH4]+ 324.23939 189.2
[M+K]+ 345.16873 175.9
[M+H-H2O]+ 289.20283 165.7
[M+HCOO]- 351.20377 202.1
[M+CH3COO]- 365.21942 218.8
[M+Na-2H]- 327.18024 178.2
[M]+ 306.20502 177.1
[M]- 306.20612 177.1
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.