CID 362544

Nsc626618

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C19H18N4O2/c1-12-5-4-6-16(11-12)20-21-18-13(2)22-23(14(18)3)19(25)15-7-9-17(24)10-8-15/h4-11,24H,1-3H3
InChIKey
LNAFQAIKISJKDO-UHFFFAOYSA-N
Compound name
[3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazol-1-yl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 179.7
[M+Na]+ 357.13219 188.7
[M-H]- 333.13569 189.6
[M+NH4]+ 352.17679 192.9
[M+K]+ 373.10613 184.2
[M+H-H2O]+ 317.14023 169.4
[M+HCOO]- 379.14117 205.2
[M+CH3COO]- 393.15682 218.5
[M+Na-2H]- 355.11764 181.7
[M]+ 334.14242 182.9
[M]- 334.14352 182.9
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.