CID 3296070

Hdbtu

Structural Information

Molecular Formula
C12H16N5O2
SMILES
CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1
InChI
InChI=1S/C12H16N5O2/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17/h5-8H,1-4H3/q+1
InChIKey
VUWHVUNQPYWNDG-UHFFFAOYSA-N
Compound name
[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

501
Patents

262.1304 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13768 157.5
[M+Na]+ 285.11962 165.6
[M-H]- 261.12312 161.6
[M+NH4]+ 280.16422 171.8
[M+K]+ 301.09356 159.2
[M+H-H2O]+ 245.12766 150.7
[M+HCOO]- 307.12860 179.6
[M+CH3COO]- 321.14425 199.1
[M+Na-2H]- 283.10507 167.3
[M]+ 262.12985 159.8
[M]- 262.13095 159.8
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