CID 117002

7-oxabicyclo(4.1.0)hepta-1,3,5-trien-2-amine, 5,5'-methylenebis(n-methyl-

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CNC1=C2C(=C(C=C1)CC3=C4C(=C(C=C3)NC)O4)O2
InChI
InChI=1S/C15H14N2O2/c1-16-10-5-3-8(12-14(10)18-12)7-9-4-6-11(17-2)15-13(9)19-15/h3-6,16-17H,7H2,1-2H3
InChIKey
GDDJPNQPWHJWFE-UHFFFAOYSA-N
Compound name
N-methyl-5-[[5-(methylamino)-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl]methyl]-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 162.3
[M+Na]+ 277.09475 173.0
[M-H]- 253.09825 172.7
[M+NH4]+ 272.13935 168.3
[M+K]+ 293.06869 171.0
[M+H-H2O]+ 237.10279 155.5
[M+HCOO]- 299.10373 182.8
[M+CH3COO]- 313.11938 173.2
[M+Na-2H]- 275.08020 170.0
[M]+ 254.10498 171.6
[M]- 254.10608 171.6
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.