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 148.6
[M+Na]+ 246.12532 155.8
[M-H]- 222.12882 153.7
[M+NH4]+ 241.16992 166.9
[M+K]+ 262.09926 154.5
[M+H-H2O]+ 206.13336 142.9
[M+HCOO]- 268.13430 167.5
[M+CH3COO]- 282.14995 160.6
[M+Na-2H]- 244.11077 156.6
[M]+ 223.13555 145.4
[M]- 223.13665 145.4
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.