CID 499680

Nsc696447

Structural Information

Molecular Formula
C22H27ClN6O2
SMILES
CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OCCNC(=O)C(CCCN=C(N)N)N)Cl
InChI
InChI=1S/C22H27ClN6O2/c1-13-16-6-4-14(23)11-20(16)29-19-7-5-15(12-17(13)19)31-10-9-27-21(30)18(24)3-2-8-28-22(25)26/h4-7,11-12,18H,2-3,8-10,24H2,1H3,(H,27,30)(H4,25,26,28)
InChIKey
QSMZFCDPHCZSHW-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(6-chloro-9-methylacridin-2-yl)oxyethyl]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19570 205.3
[M+Na]+ 465.17764 210.7
[M-H]- 441.18114 208.8
[M+NH4]+ 460.22224 214.8
[M+K]+ 481.15158 205.4
[M+H-H2O]+ 425.18568 196.3
[M+HCOO]- 487.18662 223.1
[M+CH3COO]- 501.20227 246.7
[M+Na-2H]- 463.16309 207.6
[M]+ 442.18787 208.3
[M]- 442.18897 208.3
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.