CID 28379290

2-(4-amino-1h-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C10H17N5O
SMILES
CN1CCN(CC1)C(=O)CN2C=C(C=N2)N
InChI
InChI=1S/C10H17N5O/c1-13-2-4-14(5-3-13)10(16)8-15-7-9(11)6-12-15/h6-7H,2-5,8,11H2,1H3
InChIKey
QNDAQWFPOYXJOB-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.14331 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15059 152.9
[M+Na]+ 246.13253 159.2
[M-H]- 222.13603 153.5
[M+NH4]+ 241.17713 166.8
[M+K]+ 262.10647 156.5
[M+H-H2O]+ 206.14057 143.1
[M+HCOO]- 268.14151 169.6
[M+CH3COO]- 282.15716 190.1
[M+Na-2H]- 244.11798 154.2
[M]+ 223.14276 148.3
[M]- 223.14386 148.3
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