CID 682832

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylidene]hydroxylamine

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=NN(C(=C1C=NO)OC2=CC=CC=C2)C
InChI
InChI=1S/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3
InChIKey
AKGVMZJNWXUJBJ-UHFFFAOYSA-N
Compound name
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

33
Patents

231.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.0
[M+Na]+ 254.08999 159.6
[M-H]- 230.09349 155.0
[M+NH4]+ 249.13459 167.2
[M+K]+ 270.06393 156.4
[M+H-H2O]+ 214.09803 141.7
[M+HCOO]- 276.09897 174.9
[M+CH3COO]- 290.11462 192.2
[M+Na-2H]- 252.07544 155.0
[M]+ 231.10022 152.8
[M]- 231.10132 152.8
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