CID 362546

Nsc626620

Structural Information

Molecular Formula
C18H15ClN4O2
SMILES
CC1=C(C(=NN1C(=O)C2=C(C=CC=C2Cl)O)C)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H15ClN4O2/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
KZKRLNVQYIURES-UHFFFAOYSA-N
Compound name
(2-chloro-6-hydroxyphenyl)-(3,5-dimethyl-4-phenyldiazenylpyrazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08835 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09563 183.3
[M+Na]+ 377.07757 193.4
[M-H]- 353.08107 192.9
[M+NH4]+ 372.12217 196.5
[M+K]+ 393.05151 187.5
[M+H-H2O]+ 337.08561 173.4
[M+HCOO]- 399.08655 204.4
[M+CH3COO]- 413.10220 219.0
[M+Na-2H]- 375.06302 185.1
[M]+ 354.08780 188.3
[M]- 354.08890 188.3
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.