CID 51990

73663-85-1

Structural Information

Molecular Formula
C22H32ClN3
SMILES
CCCN(CCC)CCCNC1=C2CCCCC2=NC3=C1C=CC=C3Cl
InChI
InChI=1S/C22H32ClN3/c1-3-14-26(15-4-2)16-8-13-24-21-17-9-5-6-12-20(17)25-22-18(21)10-7-11-19(22)23/h7,10-11H,3-6,8-9,12-16H2,1-2H3,(H,24,25)
InChIKey
RXETZBCYQSWMKB-UHFFFAOYSA-N
Compound name
N-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dipropylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2285 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23578 193.5
[M+Na]+ 396.21772 197.7
[M-H]- 372.22122 196.5
[M+NH4]+ 391.26232 207.3
[M+K]+ 412.19166 191.1
[M+H-H2O]+ 356.22576 184.2
[M+HCOO]- 418.22670 206.8
[M+CH3COO]- 432.24235 228.7
[M+Na-2H]- 394.20317 196.3
[M]+ 373.22795 196.0
[M]- 373.22905 196.0
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.