CID 9926459

152828-23-4

Structural Information

Molecular Formula

C₁₄H₁₇N₅O₃

SMILES

CC(C)(C)C1=CC(=NN1)N=C(C2=CC=C(C=C2)[N+](=O)[O-])NO

InChI

InChI=1S/C14H17N5O3/c1-14(2,3)11-8-12(17-16-11)15-13(18-20)9-4-6-10(7-5-9)19(21)22/h4-8,20H,1-3H3,(H2,15,16,17,18)

InChIKey

OAEVYLPNBQGVNP-UHFFFAOYSA-N

Compound name

N'-(5-tert-butyl-1H-pyrazol-3-yl)-N-hydroxy-4-nitrobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 303.13315 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.140426	166.4
[M+Na]+	326.122368	171.1
[M-H]-	302.125874	170.0
[M+NH4]+	321.166973	178.3
[M+K]+	342.096308	163.7
[M+H-H2O]+	286.130410	162.5
[M+HCOO]-	348.131351	188.5
[M+CH3COO]-	362.147001	198.2
[M+Na-2H]-	324.107816	173.8
[M]+	303.13260142	162.5
[M]-	303.13369858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe