CID 9578506

10085 cb

Structural Information

Molecular Formula
C11H11N5O3
SMILES
CC1=CC(=NC=N1)N(C)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O3/c1-8-5-10(13-7-12-8)15(2)14-6-9-3-4-11(19-9)16(17)18/h3-7H,1-2H3/b14-6+
InChIKey
QXEASICAYHMWTI-MKMNVTDBSA-N
Compound name
N,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08618 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09346 155.7
[M+Na]+ 284.07540 162.6
[M-H]- 260.07890 163.8
[M+NH4]+ 279.12000 169.7
[M+K]+ 300.04934 158.4
[M+H-H2O]+ 244.08344 150.6
[M+HCOO]- 306.08438 183.6
[M+CH3COO]- 320.10003 198.3
[M+Na-2H]- 282.06085 164.6
[M]+ 261.08563 157.4
[M]- 261.08673 157.4
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.