CID 153827

1,5-pentanediamine, n-(6-chloro-2-methoxy-9-acridinyl)-

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN
InChI
InChI=1S/C19H22ClN3O/c1-24-14-6-8-17-16(12-14)19(22-10-4-2-3-9-21)15-7-5-13(20)11-18(15)23-17/h5-8,11-12H,2-4,9-10,21H2,1H3,(H,22,23)
InChIKey
MEANIOWIRZRACS-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 180.6
[M+Na]+ 366.13436 190.1
[M-H]- 342.13786 184.0
[M+NH4]+ 361.17896 195.4
[M+K]+ 382.10830 182.7
[M+H-H2O]+ 326.14240 172.4
[M+HCOO]- 388.14334 198.4
[M+CH3COO]- 402.15899 191.1
[M+Na-2H]- 364.11981 187.3
[M]+ 343.14459 186.3
[M]- 343.14569 186.3
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.