CID 9555306

Nsc292927

Structural Information

Molecular Formula
C21H26N4O7
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)N/N=C/C2=CC(=C(C=C2OC)OC)OC)OC)OC
InChI
InChI=1S/C21H26N4O7/c1-27-15-9-19(31-5)17(29-3)7-13(15)11-22-24-21(26)25-23-12-14-8-18(30-4)20(32-6)10-16(14)28-2/h7-12H,1-6H3,(H2,24,25,26)/b22-11+,23-12+
InChIKey
COBHFOZCUGMGOE-LCHFAGMQSA-N
Compound name
1,3-bis[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18743 203.3
[M+Na]+ 469.16937 208.9
[M-H]- 445.17287 213.0
[M+NH4]+ 464.21397 212.8
[M+K]+ 485.14331 209.4
[M+H-H2O]+ 429.17741 192.0
[M+HCOO]- 491.17835 232.8
[M+CH3COO]- 505.19400 246.8
[M+Na-2H]- 467.15482 205.5
[M]+ 446.17960 214.6
[M]- 446.18070 214.6
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.