CID 6507214

Brn 3445444

Structural Information

Molecular Formula
C15H21N3O4
SMILES
COC1=C(C(=C2C/C(=N\NC(=O)N)/CCCC2=C1)OC)OC
InChI
InChI=1S/C15H21N3O4/c1-20-12-7-9-5-4-6-10(17-18-15(16)19)8-11(9)13(21-2)14(12)22-3/h7H,4-6,8H2,1-3H3,(H3,16,18,19)/b17-10-
InChIKey
BSBRGZWHQQHCFV-YVLHZVERSA-N
Compound name
[(Z)-(2,3,4-trimethoxy-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

307.1532 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16048 167.4
[M+Na]+ 330.14242 171.6
[M-H]- 306.14592 173.9
[M+NH4]+ 325.18702 182.3
[M+K]+ 346.11636 176.2
[M+H-H2O]+ 290.15046 160.4
[M+HCOO]- 352.15140 190.2
[M+CH3COO]- 366.16705 215.6
[M+Na-2H]- 328.12787 170.3
[M]+ 307.15265 166.1
[M]- 307.15375 166.1
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.