CID 3053207

11,11a-dihydro-10h-quinuclidino(2,3-c)-1,5-benzodiazepine

Structural Information

Molecular Formula
C14H17N3
SMILES
C1CN2CCC1C3=NC4=CC=CC=C4NCC32
InChI
InChI=1S/C14H17N3/c1-2-4-12-11(3-1)15-9-13-14(16-12)10-5-7-17(13)8-6-10/h1-4,10,13,15H,5-9H2
InChIKey
QKCACOBMNYBGJV-UHFFFAOYSA-N
Compound name
3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 142.4
[M+Na]+ 250.13146 153.5
[M+NH4]+ 245.17606 152.5
[M+K]+ 266.10540 147.2
[M-H]- 226.13496 142.1
[M+Na-2H]- 248.11691 143.4
[M]+ 227.14169 144.0
[M]- 227.14279 144.0
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.