CID 494411

Nsc623603

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CC2=NC(=NN(C2=CC1=N)O)N
InChI
InChI=1S/C7H7N5O/c8-4-1-2-5-6(3-4)12(13)11-7(9)10-5/h1-3,8,13H,(H2,9,11)
InChIKey
HFTVZWNPIHAXMJ-UHFFFAOYSA-N
Compound name
1-hydroxy-7-imino-1,2,4-benzotriazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.06506 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 135.2
[M+Na]+ 200.05428 146.1
[M-H]- 176.05778 135.2
[M+NH4]+ 195.09888 151.4
[M+K]+ 216.02822 141.7
[M+H-H2O]+ 160.06232 127.6
[M+HCOO]- 222.06326 156.7
[M+CH3COO]- 236.07891 147.8
[M+Na-2H]- 198.03973 145.0
[M]+ 177.06451 132.5
[M]- 177.06561 132.5
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

patents stripe