CID 46667

64046-82-8

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CC(CCCN(C)C)NC1=C2C(=CC(=C1)OC)C=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C21H26ClN3O/c1-14(6-5-9-25(2)3)23-20-13-18(26-4)12-16-10-15-11-17(22)7-8-19(15)24-21(16)20/h7-8,10-14,23H,5-6,9H2,1-4H3
InChIKey
VZLSHAUEBAEMHM-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-2-methoxyacridin-4-yl)-1-N,1-N-dimethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 190.4
[M+Na]+ 394.16567 198.7
[M-H]- 370.16917 195.5
[M+NH4]+ 389.21027 204.8
[M+K]+ 410.13961 193.1
[M+H-H2O]+ 354.17371 181.7
[M+HCOO]- 416.17465 207.6
[M+CH3COO]- 430.19030 228.9
[M+Na-2H]- 392.15112 195.1
[M]+ 371.17590 198.4
[M]- 371.17700 198.4
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.