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

1
Patents

312.1393 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.146576 174.3
[M+Na]+ 335.128518 180.9
[M-H]- 311.132024 180.5
[M+NH4]+ 330.173123 188.6
[M+K]+ 351.102458 177.9
[M+H-H2O]+ 295.136560 166.4
[M+HCOO]- 357.137501 189.1
[M+CH3COO]- 371.153151 184.2
[M+Na-2H]- 333.113966 178.2
[M]+ 312.13875142 170.5
[M]- 312.13984858 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.