CID 36930

34811-17-1

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CC(C)CNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2/c1-11(2)10-19-17-13-5-3-4-6-15(13)20-16-8-7-12(18)9-14(16)17/h7-9,11H,3-6,10H2,1-2H3,(H,19,20)
InChIKey
KXBNYRFFNPOHSI-UHFFFAOYSA-N
Compound name
7-chloro-N-(2-methylpropyl)-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.146576 167.1
[M+Na]+ 311.128518 174.2
[M-H]- 287.132024 170.0
[M+NH4]+ 306.173123 184.3
[M+K]+ 327.102458 167.8
[M+H-H2O]+ 271.136560 159.7
[M+HCOO]- 333.137501 179.8
[M+CH3COO]- 347.153151 177.4
[M+Na-2H]- 309.113966 171.9
[M]+ 288.13875142 166.9
[M]- 288.13984858 166.9
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.