CID 3037609

Quinacrine azide

Structural Information

Molecular Formula
C23H30N6O
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)N=[N+]=[N-])OC
InChI
InChI=1S/C23H30N6O/c1-5-29(6-2)13-7-8-16(3)25-23-19-11-9-17(27-28-24)14-22(19)26-21-12-10-18(30-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChIKey
OJZRYFDOXJOKNZ-UHFFFAOYSA-N
Compound name
4-N-(6-azido-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

406.2481 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25538 198.6
[M+Na]+ 429.23732 202.7
[M-H]- 405.24082 205.5
[M+NH4]+ 424.28192 210.0
[M+K]+ 445.21126 194.3
[M+H-H2O]+ 389.24536 191.5
[M+HCOO]- 451.24630 225.8
[M+CH3COO]- 465.26195 241.2
[M+Na-2H]- 427.22277 207.2
[M]+ 406.24755 202.3
[M]- 406.24865 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe