CID 3047751

Trizoxime

Structural Information

Molecular Formula
C16H15N5O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3NNC(=C2O)C(=N)N=O
InChI
InChI=1S/C16H15N5O2/c17-15(20-23)14-16(22)21(10-11-6-2-1-3-7-11)13-9-5-4-8-12(13)18-19-14/h1-9,17-19,22H,10H2
InChIKey
QILQFILVKAOEAQ-UHFFFAOYSA-N
Compound name
5-benzyl-4-hydroxy-N-oxo-1,2-dihydro-1,2,5-benzotriazepine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

309.1226 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 172.9
[M+Na]+ 332.11182 180.6
[M-H]- 308.11532 176.4
[M+NH4]+ 327.15642 182.2
[M+K]+ 348.08576 179.5
[M+H-H2O]+ 292.11986 162.9
[M+HCOO]- 354.12080 192.1
[M+CH3COO]- 368.13645 182.2
[M+Na-2H]- 330.09727 180.5
[M]+ 309.12205 168.6
[M]- 309.12315 168.6
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.