CID 41248

54951-33-6

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CCN(C2=CC=CC=C2C1)CCN3CCCC3
InChI
InChI=1S/C16H24N2/c1-2-9-16-15(7-1)8-3-4-12-18(16)14-13-17-10-5-6-11-17/h1-2,7,9H,3-6,8,10-14H2
InChIKey
UONKAYXKEKSURY-UHFFFAOYSA-N
Compound name
1-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 160.6
[M+Na]+ 267.18317 170.2
[M+NH4]+ 262.22777 169.0
[M+K]+ 283.15711 165.2
[M-H]- 243.18667 163.9
[M+Na-2H]- 265.16862 166.1
[M]+ 244.19340 162.9
[M]- 244.19450 162.9
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.