CID 3059902

77420-13-4

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC12CC(OC1=NC3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C14H16N2O2/c1-3-14-8-9(2)18-13(14)16-11-7-5-4-6-10(11)15-12(14)17/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKey
JUYPOYIZBQJEDI-UHFFFAOYSA-N
Compound name
3a-ethyl-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 153.4
[M+Na]+ 267.11041 162.1
[M-H]- 243.11391 157.2
[M+NH4]+ 262.15501 171.3
[M+K]+ 283.08435 161.2
[M+H-H2O]+ 227.11845 146.6
[M+HCOO]- 289.11939 169.1
[M+CH3COO]- 303.13504 165.0
[M+Na-2H]- 265.09586 159.0
[M]+ 244.12064 150.9
[M]- 244.12174 150.9
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.