CID 135408358

28717-87-5

Structural Information

Molecular Formula
C17H18N2
SMILES
C1CC2=CC=CC=C2NC(=NCC3=CC=CC=C3)C1
InChI
InChI=1S/C17H18N2/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)19-17/h1-5,7-9,11H,6,10,12-13H2,(H,18,19)
InChIKey
WHHWFCQVCVMYON-UHFFFAOYSA-N
Compound name
N-benzyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

250.147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 160.5
[M+Na]+ 273.13622 172.5
[M+NH4]+ 268.18082 169.1
[M+K]+ 289.11016 164.7
[M-H]- 249.13972 165.7
[M+Na-2H]- 271.12167 169.2
[M]+ 250.14645 163.8
[M]- 250.14755 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe