CID 354289

Nsc605437

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCN(CC)CCC12CC(OC1=NC3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C18H25N3O2/c1-4-21(5-2)11-10-18-12-13(3)23-17(18)20-15-9-7-6-8-14(15)19-16(18)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKey
PYBOAHCWXQSJAD-UHFFFAOYSA-N
Compound name
3a-[2-(diethylamino)ethyl]-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 174.8
[M+Na]+ 338.18389 181.0
[M-H]- 314.18739 179.2
[M+NH4]+ 333.22849 190.2
[M+K]+ 354.15783 180.9
[M+H-H2O]+ 298.19193 166.6
[M+HCOO]- 360.19287 190.6
[M+CH3COO]- 374.20852 184.6
[M+Na-2H]- 336.16934 178.3
[M]+ 315.19412 174.0
[M]- 315.19522 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.