CID 377000

Nsc658218

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]
InChI
InChI=1S/C17H22N4O2/c1-3-4-5-6-9-12-17(19-20-18)15(22)13-10-7-8-11-14(13)21(2)16(17)23/h7-8,10-11H,3-6,9,12H2,1-2H3
InChIKey
DAEWNOXENTWUSZ-UHFFFAOYSA-N
Compound name
3-azido-3-heptyl-1-methylquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 172.7
[M+Na]+ 337.16352 179.2
[M-H]- 313.16702 177.9
[M+NH4]+ 332.20812 189.3
[M+K]+ 353.13746 170.9
[M+H-H2O]+ 297.17156 168.8
[M+HCOO]- 359.17250 197.6
[M+CH3COO]- 373.18815 212.7
[M+Na-2H]- 335.14897 180.6
[M]+ 314.17375 172.9
[M]- 314.17485 172.9
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.