CID 3072790

13-ethyl-12,13,14,14a-tetrahydro-9h,11h-pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine

Structural Information

Molecular Formula
C17H21N3
SMILES
CCN1CCN2CC3=CC=CC=C3N4C=CC=C4C2C1
InChI
InChI=1S/C17H21N3/c1-2-18-10-11-19-12-14-6-3-4-7-15(14)20-9-5-8-16(20)17(19)13-18/h3-9,17H,2,10-13H2,1H3
InChIKey
USPIWAACHJFJKD-UHFFFAOYSA-N
Compound name
9-ethyl-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 163.7
[M+Na]+ 290.16277 175.3
[M+NH4]+ 285.20737 172.5
[M+K]+ 306.13671 170.0
[M-H]- 266.16627 166.0
[M+Na-2H]- 288.14822 167.6
[M]+ 267.17300 166.1
[M]- 267.17410 166.1
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.