CID 3059903

77420-14-5

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CCN(CC)CCC12CC(OC1NC3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C18H27N3O2/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/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKey
GKNVYYPMGRSHFV-UHFFFAOYSA-N
Compound name
3a-[2-(diethylamino)ethyl]-2-methyl-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

317.21033 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 176.3
[M+Na]+ 340.19955 181.0
[M-H]- 316.20305 178.9
[M+NH4]+ 335.24415 190.8
[M+K]+ 356.17349 180.3
[M+H-H2O]+ 300.20759 168.2
[M+HCOO]- 362.20853 189.2
[M+CH3COO]- 376.22418 184.9
[M+Na-2H]- 338.18500 178.4
[M]+ 317.20978 172.4
[M]- 317.21088 172.4
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.