CID 90522

24483-78-1

Structural Information

Molecular Formula
C14H19N3
SMILES
C1CCN(C2=CC=CC=C2C1)CC3=NCCN3
InChI
InChI=1S/C14H19N3/c1-2-7-13-12(5-1)6-3-4-10-17(13)11-14-15-8-9-16-14/h1-2,5,7H,3-4,6,8-11H2,(H,15,16)
InChIKey
TZYNTOLBNMSWOH-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 154.6
[M+Na]+ 252.14712 164.7
[M+NH4]+ 247.19172 162.2
[M+K]+ 268.12106 160.5
[M-H]- 228.15062 156.8
[M+Na-2H]- 250.13257 160.5
[M]+ 229.15735 156.6
[M]- 229.15845 156.6
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.