CID 13048210

Brn 5960545

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1CC2(C(O1)NC3=CC=CC=C3NC2=O)CC=C
InChI
InChI=1S/C15H18N2O2/c1-3-8-15-9-10(2)19-14(15)17-12-7-5-4-6-11(12)16-13(15)18/h3-7,10,14,17H,1,8-9H2,2H3,(H,16,18)
InChIKey
DUOPVICLHREIDK-UHFFFAOYSA-N
Compound name
2-methyl-3a-prop-2-enyl-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

258.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.2
[M+Na]+ 281.12606 166.2
[M-H]- 257.12956 161.1
[M+NH4]+ 276.17066 175.6
[M+K]+ 297.10000 163.9
[M+H-H2O]+ 241.13410 152.3
[M+HCOO]- 303.13504 171.8
[M+CH3COO]- 317.15069 169.1
[M+Na-2H]- 279.11151 162.8
[M]+ 258.13629 153.2
[M]- 258.13739 153.2
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.