CID 135599764

Brn 4210010

Structural Information

Molecular Formula
C16H18N6O4
SMILES
C/C(=N\N=C\C1=CC=C(O1)[N+](=O)[O-])/C(=NC2=CC=C(C=C2)N(C)C)NO
InChI
InChI=1S/C16H18N6O4/c1-11(19-17-10-14-8-9-15(26-14)22(24)25)16(20-23)18-12-4-6-13(7-5-12)21(2)3/h4-10,23H,1-3H3,(H,18,20)/b17-10+,19-11+
InChIKey
BBOLMXKBRBRCTE-JKQIVKDKSA-N
Compound name
(2E)-N'-[4-(dimethylamino)phenyl]-N-hydroxy-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14623 184.3
[M+Na]+ 381.12817 191.5
[M+NH4]+ 376.17277 188.8
[M+K]+ 397.10211 192.1
[M-H]- 357.13167 191.3
[M+Na-2H]- 379.11362 189.1
[M]+ 358.13840 186.5
[M]- 358.13950 186.5
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.