CID 494410

Nsc623602

Structural Information

Molecular Formula
C9H9N5O2
SMILES
CC(=O)N=C1C=CC2=NC(=NN(C2=C1)O)N
InChI
InChI=1S/C9H9N5O2/c1-5(15)11-6-2-3-7-8(4-6)14(16)13-9(10)12-7/h2-4,16H,1H3,(H2,10,13)
InChIKey
SPPUUZDXDMCILQ-UHFFFAOYSA-N
Compound name
N-(3-amino-1-hydroxy-1,2,4-benzotriazin-7-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.07562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08290 146.3
[M+Na]+ 242.06484 156.7
[M-H]- 218.06834 147.5
[M+NH4]+ 237.10944 161.4
[M+K]+ 258.03878 153.3
[M+H-H2O]+ 202.07288 138.0
[M+HCOO]- 264.07382 168.1
[M+CH3COO]- 278.08947 192.1
[M+Na-2H]- 240.05029 154.5
[M]+ 219.07507 146.1
[M]- 219.07617 146.1
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

No patent data available for this compound.