CID 387075

Nsc680465

Structural Information

Molecular Formula
C11H11N5O2
SMILES
CC(=NNC1=CN=NC2=C1C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C11H11N5O2/c1-7(2)13-15-11-6-12-14-10-4-3-8(16(17)18)5-9(10)11/h3-6H,1-2H3,(H,14,15)
InChIKey
KXGLYSCVSAHRQN-UHFFFAOYSA-N
Compound name
6-nitro-N-(propan-2-ylideneamino)cinnolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

245.09128 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09856 149.3
[M+Na]+ 268.08050 156.2
[M-H]- 244.08400 152.8
[M+NH4]+ 263.12510 164.2
[M+K]+ 284.05444 149.6
[M+H-H2O]+ 228.08854 145.1
[M+HCOO]- 290.08948 174.2
[M+CH3COO]- 304.10513 195.3
[M+Na-2H]- 266.06595 160.3
[M]+ 245.09073 148.1
[M]- 245.09183 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.