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

1
Patents

250.147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 157.9
[M+Na]+ 273.136218 162.1
[M-H]- 249.139724 164.2
[M+NH4]+ 268.180823 173.0
[M+K]+ 289.110158 160.7
[M+H-H2O]+ 233.144260 150.3
[M+HCOO]- 295.145201 177.6
[M+CH3COO]- 309.160851 168.2
[M+Na-2H]- 271.121666 164.7
[M]+ 250.14645142 150.6
[M]- 250.14754858 150.6
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