CID 9570370

Cetoxime

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1=CC=C(C=C1)CN(C/C(=N/O)/N)C2=CC=CC=C2
InChI
InChI=1S/C15H17N3O/c16-15(17-19)12-18(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,19H,11-12H2,(H2,16,17)
InChIKey
GOAZMLKQUGCOPO-UHFFFAOYSA-N
Compound name
2-(N-benzylanilino)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

714
Patents

255.13716 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 158.4
[M+Na]+ 278.126378 162.1
[M-H]- 254.129884 165.3
[M+NH4]+ 273.170983 174.0
[M+K]+ 294.100318 159.4
[M+H-H2O]+ 238.134420 149.6
[M+HCOO]- 300.135361 184.8
[M+CH3COO]- 314.151011 204.1
[M+Na-2H]- 276.111826 164.2
[M]+ 255.13661142 156.0
[M]- 255.13770858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe