CID 393766

Nsc696445

Structural Information

Molecular Formula
C25H32ClN5O2
SMILES
CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OCCCCCCNC(=O)CCCN=C(N)N)Cl
InChI
InChI=1S/C25H32ClN5O2/c1-17-20-10-8-18(26)15-23(20)31-22-11-9-19(16-21(17)22)33-14-5-3-2-4-12-29-24(32)7-6-13-30-25(27)28/h8-11,15-16H,2-7,12-14H2,1H3,(H,29,32)(H4,27,28,30)
InChIKey
UEHBSQXLUIXFIY-UHFFFAOYSA-N
Compound name
N-[6-(6-chloro-9-methylacridin-2-yl)oxyhexyl]-4-(diaminomethylideneamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.22446 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.23174 215.5
[M+Na]+ 492.21368 220.6
[M-H]- 468.21718 218.8
[M+NH4]+ 487.25828 224.5
[M+K]+ 508.18762 213.9
[M+H-H2O]+ 452.22172 205.7
[M+HCOO]- 514.22266 232.8
[M+CH3COO]- 528.23831 249.4
[M+Na-2H]- 490.19913 217.7
[M]+ 469.22391 221.5
[M]- 469.22501 221.5
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.