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 148.7
[M+Na]+ 250.13146 154.3
[M-H]- 226.13496 146.0
[M+NH4]+ 245.17606 166.9
[M+K]+ 266.10540 150.4
[M+H-H2O]+ 210.13950 141.4
[M+HCOO]- 272.14044 155.4
[M+CH3COO]- 286.15609 157.4
[M+Na-2H]- 248.11691 160.2
[M]+ 227.14169 144.2
[M]- 227.14279 144.2
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.