CID 117002

71042-98-3

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 136.9
[M+Na]+ 277.09475 152.4
[M+NH4]+ 272.13935 146.4
[M+K]+ 293.06869 150.0
[M-H]- 253.09825 156.0
[M+Na-2H]- 275.08020 148.8
[M]+ 254.10498 146.7
[M]- 254.10608 146.7
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.