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]+ 244.144436 155.9
[M+Na]+ 266.126378 161.5
[M-H]- 242.129884 158.9
[M+NH4]+ 261.170983 170.2
[M+K]+ 282.100318 159.9
[M+H-H2O]+ 226.134420 146.3
[M+HCOO]- 288.135361 171.1
[M+CH3COO]- 302.151011 165.7
[M+Na-2H]- 264.111826 158.8
[M]+ 243.13661142 148.7
[M]- 243.13770858 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.