CID 3059900

Brn 5956374

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCC12CC(OC1NC3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C14H18N2O2/c1-3-14-8-9(2)18-13(14)16-11-7-5-4-6-10(11)15-12(14)17/h4-7,9,13,16H,3,8H2,1-2H3,(H,15,17)
InChIKey
RHARBRDZQQOHTC-UHFFFAOYSA-N
Compound name
3a-ethyl-2-methyl-3,5,10,10a-tetrahydro-2H-furo[2,3-b][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 155.5
[M+Na]+ 269.12605 162.7
[M-H]- 245.12955 157.5
[M+NH4]+ 264.17065 172.5
[M+K]+ 285.09999 161.1
[M+H-H2O]+ 229.13409 148.8
[M+HCOO]- 291.13503 168.3
[M+CH3COO]- 305.15068 165.8
[M+Na-2H]- 267.11150 159.7
[M]+ 246.13628 149.9
[M]- 246.13738 149.9
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.