CID 499679

Nsc696446

Structural Information

Molecular Formula
C26H35ClN6O2
SMILES
CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OCCCCCCNC(=O)C(CCCN=C(N)N)N)Cl
InChI
InChI=1S/C26H35ClN6O2/c1-17-20-10-8-18(27)15-24(20)33-23-11-9-19(16-21(17)23)35-14-5-3-2-4-12-31-25(34)22(28)7-6-13-32-26(29)30/h8-11,15-16,22H,2-7,12-14,28H2,1H3,(H,31,34)(H4,29,30,32)
InChIKey
ABZVNVRHVLYFQT-UHFFFAOYSA-N
Compound name
2-amino-N-[6-(6-chloro-9-methylacridin-2-yl)oxyhexyl]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.251 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25828 222.3
[M+Na]+ 521.24022 225.8
[M-H]- 497.24372 225.0
[M+NH4]+ 516.28482 229.4
[M+K]+ 537.21416 219.9
[M+H-H2O]+ 481.24826 212.5
[M+HCOO]- 543.24920 238.7
[M+CH3COO]- 557.26485 258.1
[M+Na-2H]- 519.22567 222.7
[M]+ 498.25045 226.5
[M]- 498.25155 226.5
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.