CID 5400005

403644-08-6

Structural Information

Molecular Formula
C12H12N4OS
SMILES
C1CC2=C(C1)NN=C2C(=O)N/N=C\C3=CC=CS3
InChI
InChI=1S/C12H12N4OS/c17-12(16-13-7-8-3-2-6-18-8)11-9-4-1-5-10(9)14-15-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17)/b13-7-
InChIKey
RHTNOJVNXRSZGT-QPEQYQDCSA-N
Compound name
N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08046 156.8
[M+Na]+ 283.06240 165.8
[M-H]- 259.06590 163.6
[M+NH4]+ 278.10700 177.4
[M+K]+ 299.03634 162.5
[M+H-H2O]+ 243.07044 150.1
[M+HCOO]- 305.07138 178.5
[M+CH3COO]- 319.08703 169.6
[M+Na-2H]- 281.04785 157.7
[M]+ 260.07263 159.0
[M]- 260.07373 159.0
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

No patent data available for this compound.