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]+ 318.217606 176.3
[M+Na]+ 340.199548 181.0
[M-H]- 316.203054 178.9
[M+NH4]+ 335.244153 190.8
[M+K]+ 356.173488 180.3
[M+H-H2O]+ 300.207590 168.2
[M+HCOO]- 362.208531 189.2
[M+CH3COO]- 376.224181 184.9
[M+Na-2H]- 338.184996 178.4
[M]+ 317.20978142 172.4
[M]- 317.21087858 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.