CID 6861960

1477482-53-3

Structural Information

Molecular Formula
C15H15ClN4O
SMILES
C1CCC2=C(C1)C(=NN2)C(=O)N/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H15ClN4O/c16-11-7-5-10(6-8-11)9-17-20-15(21)14-12-3-1-2-4-13(12)18-19-14/h5-9H,1-4H2,(H,18,19)(H,20,21)/b17-9+
InChIKey
CJGJXFCLDYQBFQ-RQZCQDPDSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

302.09344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10072 168.3
[M+Na]+ 325.08266 174.9
[M-H]- 301.08616 172.6
[M+NH4]+ 320.12726 183.3
[M+K]+ 341.05660 168.5
[M+H-H2O]+ 285.09070 159.4
[M+HCOO]- 347.09164 184.5
[M+CH3COO]- 361.10729 178.4
[M+Na-2H]- 323.06811 172.2
[M]+ 302.09289 166.3
[M]- 302.09399 166.3
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

No patent data available for this compound.