CID 41241

Brn 0666853

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CC2=CC=CC=C2N(C(=O)C1)CC3=NCCN3
InChI
InChI=1S/C14H17N3O/c18-14-7-3-5-11-4-1-2-6-12(11)17(14)10-13-15-8-9-16-13/h1-2,4,6H,3,5,7-10H2,(H,15,16)
InChIKey
QJNSVIYGOVNUCN-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 157.2
[M+Na]+ 266.12638 167.2
[M+NH4]+ 261.17098 164.0
[M+K]+ 282.10032 163.6
[M-H]- 242.12988 158.7
[M+Na-2H]- 264.11183 162.3
[M]+ 243.13661 158.9
[M]- 243.13771 158.9
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.