CID 206821

Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2h)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCN(CC)CCN1CCN2C=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C17H23N3O/c1-3-18(4-2)10-11-20-13-12-19-9-8-14-6-5-7-15(16(14)19)17(20)21/h5-9H,3-4,10-13H2,1-2H3
InChIKey
AFNBVWCMWNQXBB-UHFFFAOYSA-N
Compound name
10-[2-(diethylamino)ethyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 168.2
[M+Na]+ 308.17332 175.2
[M-H]- 284.17682 173.0
[M+NH4]+ 303.21792 185.3
[M+K]+ 324.14726 174.8
[M+H-H2O]+ 268.18136 160.2
[M+HCOO]- 330.18230 187.9
[M+CH3COO]- 344.19795 179.2
[M+Na-2H]- 306.15877 172.2
[M]+ 285.18355 169.9
[M]- 285.18465 169.9
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.