CID 362545

Nsc626619

Structural Information

Molecular Formula
C18H15BrN4O2
SMILES
CC1=C(C(=NN1C(=O)C2=C(C=CC=C2Br)O)C)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H15BrN4O2/c1-11-17(21-20-13-7-4-3-5-8-13)12(2)23(22-11)18(25)16-14(19)9-6-10-15(16)24/h3-10,24H,1-2H3
InChIKey
PZHVFTLCWGZDMM-UHFFFAOYSA-N
Compound name
(2-bromo-6-hydroxyphenyl)-(3,5-dimethyl-4-phenyldiazenylpyrazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.03784 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04512 183.1
[M+Na]+ 421.02706 194.7
[M-H]- 397.03056 194.9
[M+NH4]+ 416.07166 197.5
[M+K]+ 437.00100 182.5
[M+H-H2O]+ 381.03510 179.1
[M+HCOO]- 443.03604 206.2
[M+CH3COO]- 457.05169 223.0
[M+Na-2H]- 419.01251 186.6
[M]+ 398.03729 204.2
[M]- 398.03839 204.2
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.