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]+ 245.201226 158.4
[M+Na]+ 267.183168 161.3
[M-H]- 243.186674 162.7
[M+NH4]+ 262.227773 174.2
[M+K]+ 283.157108 159.9
[M+H-H2O]+ 227.191210 149.4
[M+HCOO]- 289.192151 173.8
[M+CH3COO]- 303.207801 167.8
[M+Na-2H]- 265.168616 160.3
[M]+ 244.19340142 150.4
[M]- 244.19449858 150.4
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.