CID 6507216

49606-43-1

Structural Information

Molecular Formula
C14H19N3O4
SMILES
COC1=C(C(=C2C/C(=N\NC(=O)N)/CCCC2=C1)O)OC
InChI
InChI=1S/C14H19N3O4/c1-20-11-6-8-4-3-5-9(16-17-14(15)19)7-10(8)12(18)13(11)21-2/h6,18H,3-5,7H2,1-2H3,(H3,15,17,19)/b16-9-
InChIKey
VHJGHSLTPVSPIB-SXGWCWSVSA-N
Compound name
[(Z)-(4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 163.5
[M+Na]+ 316.126758 167.7
[M-H]- 292.130264 168.8
[M+NH4]+ 311.171363 178.2
[M+K]+ 332.100698 171.8
[M+H-H2O]+ 276.134800 156.8
[M+HCOO]- 338.135741 185.2
[M+CH3COO]- 352.151391 210.6
[M+Na-2H]- 314.112206 166.4
[M]+ 293.13699142 160.1
[M]- 293.13808858 160.1
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.