CID 6507214

49562-06-3

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]+ 308.160476 167.4
[M+Na]+ 330.142418 171.6
[M-H]- 306.145924 173.9
[M+NH4]+ 325.187023 182.3
[M+K]+ 346.116358 176.2
[M+H-H2O]+ 290.150460 160.4
[M+HCOO]- 352.151401 190.2
[M+CH3COO]- 366.167051 215.6
[M+Na-2H]- 328.127866 170.3
[M]+ 307.15265142 166.1
[M]- 307.15374858 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.