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]+ 259.144116 159.2
[M+Na]+ 281.126058 166.2
[M-H]- 257.129564 161.1
[M+NH4]+ 276.170663 175.6
[M+K]+ 297.099998 163.9
[M+H-H2O]+ 241.134100 152.3
[M+HCOO]- 303.135041 171.8
[M+CH3COO]- 317.150691 169.1
[M+Na-2H]- 279.111506 162.8
[M]+ 258.13629142 153.2
[M]- 258.13738858 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.