CID 86835

19197-14-9

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC=C(C=C1)N=NC2C(=NNC2=O)N
InChI
InChI=1S/C9H9N5O/c10-8-7(9(15)14-13-8)12-11-6-4-2-1-3-5-6/h1-5,7H,(H2,10,13)(H,14,15)
InChIKey
KARWINWPVZJLQK-UHFFFAOYSA-N
Compound name
3-amino-4-phenyldiazenyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.0807 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.087976 140.0
[M+Na]+ 226.069918 148.0
[M-H]- 202.073424 145.6
[M+NH4]+ 221.114523 157.6
[M+K]+ 242.043858 145.1
[M+H-H2O]+ 186.077960 131.0
[M+HCOO]- 248.078901 167.5
[M+CH3COO]- 262.094551 191.4
[M+Na-2H]- 224.055366 146.9
[M]+ 203.08015142 137.2
[M]- 203.08124858 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe