CID 9571301

Nsc641854

Structural Information

Molecular Formula
C11H14N6O3
SMILES
C/C(=N\N=C(N)N)/CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N6O3/c1-7(15-16-11(12)13)6-10(18)14-8-2-4-9(5-3-8)17(19)20/h2-5H,6H2,1H3,(H,14,18)(H4,12,13,16)/b15-7+
InChIKey
NBYWHLCSDACJHM-VIZOYTHASA-N
Compound name
(3E)-3-(diaminomethylidenehydrazinylidene)-N-(4-nitrophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11273 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12001 157.3
[M+Na]+ 301.10195 159.9
[M-H]- 277.10545 162.3
[M+NH4]+ 296.14655 171.0
[M+K]+ 317.07589 155.6
[M+H-H2O]+ 261.10999 153.0
[M+HCOO]- 323.11093 186.6
[M+CH3COO]- 337.12658 208.1
[M+Na-2H]- 299.08740 162.1
[M]+ 278.11218 152.0
[M]- 278.11328 152.0
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.