CID 354288

Brn 5966071

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1CC2(C(=O)NC3=CC=CC=C3N=C2O1)CC=C
InChI
InChI=1S/C15H16N2O2/c1-3-8-15-9-10(2)19-14(15)17-12-7-5-4-6-11(12)16-13(15)18/h3-7,10H,1,8-9H2,2H3,(H,16,18)
InChIKey
SYRXCXSDXGBKQR-UHFFFAOYSA-N
Compound name
2-methyl-3a-prop-2-enyl-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

256.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 157.2
[M+Na]+ 279.11042 165.6
[M-H]- 255.11392 160.8
[M+NH4]+ 274.15502 174.5
[M+K]+ 295.08436 164.0
[M+H-H2O]+ 239.11846 150.2
[M+HCOO]- 301.11940 172.7
[M+CH3COO]- 315.13505 168.3
[M+Na-2H]- 277.09587 162.2
[M]+ 256.12065 154.2
[M]- 256.12175 154.2
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.