CID 115860

63918-73-0

Structural Information

Molecular Formula
C16H17N
SMILES
CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C16H17N/c1-2-17-11-13-7-3-5-9-15(13)16-10-6-4-8-14(16)12-17/h3-10H,2,11-12H2,1H3
InChIKey
VJPKSUBNLIXKJK-UHFFFAOYSA-N
Compound name
6-ethyl-5,7-dihydrobenzo[d][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 149.2
[M+Na]+ 246.12532 162.9
[M+NH4]+ 241.16992 159.0
[M+K]+ 262.09926 155.2
[M-H]- 222.12882 153.3
[M+Na-2H]- 244.11077 157.0
[M]+ 223.13555 152.6
[M]- 223.13665 152.6
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.