CID 135417150

28717-88-6

Structural Information

Molecular Formula
C23H21ClN2
SMILES
C1CC2=CC=CC=C2NC(=NCC3=CC=CC=C3)C1C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H21ClN2/c24-20-13-10-18(11-14-20)21-15-12-19-8-4-5-9-22(19)26-23(21)25-16-17-6-2-1-3-7-17/h1-11,13-14,21H,12,15-16H2,(H,25,26)
InChIKey
DNIAQKQEZRMDDM-UHFFFAOYSA-N
Compound name
N-benzyl-3-(4-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1393 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14658 189.3
[M+Na]+ 383.12852 195.7
[M-H]- 359.13202 198.0
[M+NH4]+ 378.17312 201.1
[M+K]+ 399.10246 191.4
[M+H-H2O]+ 343.13656 180.1
[M+HCOO]- 405.13750 203.9
[M+CH3COO]- 419.15315 198.2
[M+Na-2H]- 381.11397 193.1
[M]+ 360.13875 184.4
[M]- 360.13985 184.4
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.