CID 29302

18833-77-7

Structural Information

Molecular Formula
C19H26ClN3
SMILES
CN(C)CCCNC1=C2CCCCCC2=NC3=C1C=CC(=C3)Cl
InChI
InChI=1S/C19H26ClN3/c1-23(2)12-6-11-21-19-15-7-4-3-5-8-17(15)22-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,22)
InChIKey
PDLKPICOUKFEQJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.18152 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18880 178.2
[M+Na]+ 354.17074 183.9
[M-H]- 330.17424 183.4
[M+NH4]+ 349.21534 193.3
[M+K]+ 370.14468 182.7
[M+H-H2O]+ 314.17878 170.4
[M+HCOO]- 376.17972 192.8
[M+CH3COO]- 390.19537 187.7
[M+Na-2H]- 352.15619 182.6
[M]+ 331.18097 176.9
[M]- 331.18207 176.9
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.