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]+ 255.112806 162.3
[M+Na]+ 277.094748 173.0
[M-H]- 253.098254 172.7
[M+NH4]+ 272.139353 168.3
[M+K]+ 293.068688 171.0
[M+H-H2O]+ 237.102790 155.5
[M+HCOO]- 299.103731 182.8
[M+CH3COO]- 313.119381 173.2
[M+Na-2H]- 275.080196 170.0
[M]+ 254.10498142 171.6
[M]- 254.10607858 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.