CID 511167

Schembl23904666

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCCCN
InChI
InChI=1S/C21H26ClN3O/c1-26-16-8-10-19-18(14-16)21(24-12-6-4-2-3-5-11-23)17-9-7-15(22)13-20(17)25-19/h7-10,13-14H,2-6,11-12,23H2,1H3,(H,24,25)
InChIKey
DJMCJIRSZMPUDK-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.17645 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 189.7
[M+Na]+ 394.16567 198.2
[M-H]- 370.16917 192.7
[M+NH4]+ 389.21027 203.3
[M+K]+ 410.13961 190.4
[M+H-H2O]+ 354.17371 181.0
[M+HCOO]- 416.17465 206.8
[M+CH3COO]- 430.19030 224.3
[M+Na-2H]- 392.15112 195.3
[M]+ 371.17590 196.0
[M]- 371.17700 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

patents stripe