CID 511169

N-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]formamidine

Structural Information

Molecular Formula
C18H19ClN4O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN=CN
InChI
InChI=1S/C18H19ClN4O/c1-24-13-4-6-16-15(10-13)18(22-8-2-7-21-11-20)14-5-3-12(19)9-17(14)23-16/h3-6,9-11H,2,7-8H2,1H3,(H2,20,21)(H,22,23)
InChIKey
GKNPVBRXWLJTJD-UHFFFAOYSA-N
Compound name
N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13201 178.7
[M+Na]+ 365.11395 188.6
[M-H]- 341.11745 183.7
[M+NH4]+ 360.15855 193.9
[M+K]+ 381.08789 181.7
[M+H-H2O]+ 325.12199 170.2
[M+HCOO]- 387.12293 199.6
[M+CH3COO]- 401.13858 221.6
[M+Na-2H]- 363.09940 186.9
[M]+ 342.12418 184.5
[M]- 342.12528 184.5
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.