CID 15089895

Lamotrigine n2-oxide

Structural Information

Molecular Formula
C9H7Cl2N5O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=NN(C(=N)N=C2N)O
InChI
InChI=1S/C9H7Cl2N5O/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16(17)15-7/h1-3,17H,(H3,12,13,14)
InChIKey
YGGNPWUXPLVPLK-UHFFFAOYSA-N
Compound name
6-(2,3-dichlorophenyl)-2-hydroxy-3-imino-1,2,4-triazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00278 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01006 154.8
[M+Na]+ 293.99200 170.3
[M+NH4]+ 289.03660 161.6
[M+K]+ 309.96594 163.6
[M-H]- 269.99550 157.6
[M+Na-2H]- 291.97745 162.7
[M]+ 271.00223 158.2
[M]- 271.00333 158.2
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.