CID 3055114

10-acetyl-4a,5,11,11a-tetrahydro-10h-quinuclidino(2,3-c)-1,5-benzodiazepine

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC(=O)N1CC2C(C3CCN2CC3)NC4=CC=CC=C41
InChI
InChI=1S/C16H21N3O/c1-11(20)19-10-15-16(12-6-8-18(15)9-7-12)17-13-4-2-3-5-14(13)19/h2-5,12,15-17H,6-10H2,1H3
InChIKey
KQQXIFZIEYWBOS-UHFFFAOYSA-N
Compound name
1-(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 154.1
[M+Na]+ 294.15768 163.4
[M+NH4]+ 289.20228 162.9
[M+K]+ 310.13162 158.2
[M-H]- 270.16118 152.7
[M+Na-2H]- 292.14313 152.7
[M]+ 271.16791 154.9
[M]- 271.16901 154.9
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.