CID 105398

1h-pyrazol-5-amine, 4-[(2,4-dinitrophenyl)azo]-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C16H13N7O4
SMILES
CC1=NN(C(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N)C3=CC=CC=C3
InChI
InChI=1S/C16H13N7O4/c1-10-15(16(17)21(20-10)11-5-3-2-4-6-11)19-18-13-8-7-12(22(24)25)9-14(13)23(26)27/h2-9H,17H2,1H3
InChIKey
FNANWDHJXQWWSM-UHFFFAOYSA-N
Compound name
4-[(2,4-dinitrophenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

367.1029 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11018 180.1
[M+Na]+ 390.09212 184.6
[M-H]- 366.09562 190.3
[M+NH4]+ 385.13672 188.9
[M+K]+ 406.06606 173.1
[M+H-H2O]+ 350.10016 177.3
[M+HCOO]- 412.10110 208.9
[M+CH3COO]- 426.11675 215.5
[M+Na-2H]- 388.07757 189.4
[M]+ 367.10235 177.0
[M]- 367.10345 177.0
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

patents stripe