CID 6434280

Acridine, 6-chloro-9-((4-(diethylamino)-1-methyl-2-butenyl)amino)-2-methoxy-, dihydrochloride, (z)-

Structural Information

Molecular Formula
C23H28ClN3O
SMILES
CCN(CC)C/C=C/C(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C23H28ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,26)/b8-7+
InChIKey
PAMCQPSLKWFRDU-BQYQJAHWSA-N
Compound name
(E)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpent-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

397.19208 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19936 198.9
[M+Na]+ 420.18130 206.6
[M-H]- 396.18480 203.6
[M+NH4]+ 415.22590 212.2
[M+K]+ 436.15524 200.0
[M+H-H2O]+ 380.18934 189.8
[M+HCOO]- 442.19028 215.6
[M+CH3COO]- 456.20593 233.4
[M+Na-2H]- 418.16675 202.4
[M]+ 397.19153 206.7
[M]- 397.19263 206.7
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