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 155.9
[M+Na]+ 266.12638 161.5
[M-H]- 242.12988 158.9
[M+NH4]+ 261.17098 170.2
[M+K]+ 282.10032 159.9
[M+H-H2O]+ 226.13442 146.3
[M+HCOO]- 288.13536 171.1
[M+CH3COO]- 302.15101 165.7
[M+Na-2H]- 264.11183 158.8
[M]+ 243.13661 148.7
[M]- 243.13771 148.7
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.