CID 135417145

28717-80-8

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CCCN=C1C(CCC2=CC=CC=C2N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2/c1-2-13-21-19-17(14-7-10-16(20)11-8-14)12-9-15-5-3-4-6-18(15)22-19/h3-8,10-11,17H,2,9,12-13H2,1H3,(H,21,22)
InChIKey
JOSNDTISJFTPBH-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 174.3
[M+Na]+ 335.12852 180.9
[M-H]- 311.13202 180.5
[M+NH4]+ 330.17312 188.6
[M+K]+ 351.10246 177.9
[M+H-H2O]+ 295.13656 166.4
[M+HCOO]- 357.13750 189.1
[M+CH3COO]- 371.15315 184.2
[M+Na-2H]- 333.11397 178.2
[M]+ 312.13875 170.5
[M]- 312.13985 170.5
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.