CID 135624029

Sr 4466

Structural Information

Molecular Formula
C10H10N4O3
SMILES
C=CCOC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-]
InChI
InChI=1S/C10H10N4O3/c1-2-5-17-7-3-4-8-9(6-7)14(16)12-10(11)13(8)15/h2-4,6H,1,5H2,(H2,11,12)
InChIKey
IUPORFAQZFESQW-UHFFFAOYSA-N
Compound name
1,4-dioxido-7-prop-2-enoxy-1,2,4-benzotriazine-1,4-diium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

234.07529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 151.9
[M+Na]+ 257.06451 168.0
[M+NH4]+ 252.10911 158.8
[M+K]+ 273.03845 165.9
[M-H]- 233.06801 154.7
[M+Na-2H]- 255.04996 156.6
[M]+ 234.07474 154.8
[M]- 234.07584 154.8
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

patents stripe