CID 211020

22056-51-5

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1=CC=C(C=C1)C2=CC=C(N2)CC(=O)NN
InChI
InChI=1S/C12H13N3O/c13-15-12(16)8-10-6-7-11(14-10)9-4-2-1-3-5-9/h1-7,14H,8,13H2,(H,15,16)
InChIKey
HAFVWAOJAJLKMU-UHFFFAOYSA-N
Compound name
2-(5-phenyl-1H-pyrrol-2-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 146.8
[M+Na]+ 238.09509 153.0
[M-H]- 214.09859 150.7
[M+NH4]+ 233.13969 164.0
[M+K]+ 254.06903 148.7
[M+H-H2O]+ 198.10313 139.0
[M+HCOO]- 260.10407 170.8
[M+CH3COO]- 274.11972 187.8
[M+Na-2H]- 236.08054 151.1
[M]+ 215.10532 142.7
[M]- 215.10642 142.7
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.