CID 9588652

Alpha-methyl chloro-5 oxo-2 phenyl-3 dihydro-2,3 1h-benzimidazole-1 acetamidoxime [french]

Structural Information

Molecular Formula
C16H15ClN4O2
SMILES
CC(/C(=N/O)/N)N1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN4O2/c1-10(15(18)19-23)20-13-8-7-11(17)9-14(13)21(16(20)22)12-5-3-2-4-6-12/h2-10,23H,1H3,(H2,18,19)
InChIKey
QETZCOAIVJHBCM-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)-N'-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08835 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09563 174.6
[M+Na]+ 353.07757 185.0
[M-H]- 329.08107 180.4
[M+NH4]+ 348.12217 188.9
[M+K]+ 369.05151 178.8
[M+H-H2O]+ 313.08561 166.3
[M+HCOO]- 375.08655 193.2
[M+CH3COO]- 389.10220 186.0
[M+Na-2H]- 351.06302 177.4
[M]+ 330.08780 178.1
[M]- 330.08890 178.1
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.