CID 5019942

784171-52-4

Structural Information

Molecular Formula
C10H11ClN4O
SMILES
CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CCl
InChI
InChI=1S/C10H11ClN4O/c1-6-3-8(9(16)4-11)7(2)15(6)10-12-5-13-14-10/h3,5H,4H2,1-2H3,(H,12,13,14)
InChIKey
FKXXNKTZIWBSQY-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06941 149.9
[M+Na]+ 261.05135 163.1
[M+NH4]+ 256.09595 156.2
[M+K]+ 277.02529 161.2
[M-H]- 237.05485 149.8
[M+Na-2H]- 259.03680 155.8
[M]+ 238.06158 151.8
[M]- 238.06268 151.8
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.