CID 512445

1-allyl-3,4-dihydro-2h-benzofuro[3,2-e][1,4]diazepin-5-one

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C=CCN1CCNC(=O)C2=C1C3=CC=CC=C3O2
InChI
InChI=1S/C14H14N2O2/c1-2-8-16-9-7-15-14(17)13-12(16)10-5-3-4-6-11(10)18-13/h2-6H,1,7-9H2,(H,15,17)
InChIKey
XVUXPZWHAXUECF-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-3,4-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 151.9
[M+Na]+ 265.09475 160.8
[M-H]- 241.09825 155.8
[M+NH4]+ 260.13935 168.0
[M+K]+ 281.06869 159.7
[M+H-H2O]+ 225.10279 145.3
[M+HCOO]- 287.10373 169.2
[M+CH3COO]- 301.11938 163.6
[M+Na-2H]- 263.08020 157.4
[M]+ 242.10498 149.8
[M]- 242.10608 149.8
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.