CID 3063568

Brn 3340161

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CCN(CC)CCCCNC1=CC(=O)C(=CC1=O)NC
InChI
InChI=1S/C15H25N3O2/c1-4-18(5-2)9-7-6-8-17-13-11-14(19)12(16-3)10-15(13)20/h10-11,16-17H,4-9H2,1-3H3
InChIKey
FSLBHKJXVCYFJY-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)butylamino]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.19467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 167.6
[M+Na]+ 302.18389 172.2
[M-H]- 278.18739 172.0
[M+NH4]+ 297.22849 183.7
[M+K]+ 318.15783 170.3
[M+H-H2O]+ 262.19193 159.7
[M+HCOO]- 324.19287 193.0
[M+CH3COO]- 338.20852 214.2
[M+Na-2H]- 300.16934 169.7
[M]+ 279.19412 169.8
[M]- 279.19522 169.8
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.