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 152.2
[M+Na]+ 257.06451 161.2
[M-H]- 233.06801 150.8
[M+NH4]+ 252.10911 164.5
[M+K]+ 273.03845 147.4
[M+H-H2O]+ 217.07255 153.3
[M+HCOO]- 279.07349 170.8
[M+CH3COO]- 293.08914 175.8
[M+Na-2H]- 255.04996 163.1
[M]+ 234.07474 148.1
[M]- 234.07584 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

No literature data available for this compound.

Patent stripe

patents stripe