CID 3072801

11,14-dioxo-12,13,14,14a-tetrahydro-9h-(1,4)diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CNC1=O
InChI
InChI=1S/C16H15N3O2/c20-15-8-14-13-6-3-7-18(13)12-5-2-1-4-11(12)10-19(14)16(21)9-17-15/h1-7,14H,8-10H2,(H,17,20)
InChIKey
LXQFMYJYZUWLIF-UHFFFAOYSA-N
Compound name
6,14,17-triazatetracyclo[12.5.0.02,6.07,12]nonadeca-2,4,7,9,11-pentaene-15,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 170.8
[M+Na]+ 304.10564 177.6
[M+NH4]+ 299.15024 175.8
[M+K]+ 320.07958 175.8
[M-H]- 280.10914 170.9
[M+Na-2H]- 302.09109 172.2
[M]+ 281.11587 171.7
[M]- 281.11697 171.7
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.