CID 217462

38915-05-8

Structural Information

Molecular Formula
C19H26ClN3
SMILES
CN(CCN(C)C1=C2CCCCC2=NC3=CC=CC=C31)CCCl
InChI
InChI=1S/C19H26ClN3/c1-22(12-11-20)13-14-23(2)19-15-7-3-5-9-17(15)21-18-10-6-4-8-16(18)19/h3,5,7,9H,4,6,8,10-14H2,1-2H3
InChIKey
KVWZSUUIUPHZNX-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N,N'-dimethyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.18152 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18880 179.8
[M+Na]+ 354.17074 184.6
[M-H]- 330.17424 184.5
[M+NH4]+ 349.21534 195.7
[M+K]+ 370.14468 179.9
[M+H-H2O]+ 314.17878 170.7
[M+HCOO]- 376.17972 194.7
[M+CH3COO]- 390.19537 222.1
[M+Na-2H]- 352.15619 184.3
[M]+ 331.18097 182.2
[M]- 331.18207 182.2
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.