CID 213324

26165-65-1

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=CC=C(N1C2=CC=CC(=C2)C(=O)NN)C
InChI
InChI=1S/C13H15N3O/c1-9-6-7-10(2)16(9)12-5-3-4-11(8-12)13(17)15-14/h3-8H,14H2,1-2H3,(H,15,17)
InChIKey
BGAABSPYXZGBMW-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrrol-1-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.9
[M+Na]+ 252.110718 159.9
[M-H]- 228.114224 157.8
[M+NH4]+ 247.155323 169.9
[M+K]+ 268.084658 156.4
[M+H-H2O]+ 212.118760 144.2
[M+HCOO]- 274.119701 177.0
[M+CH3COO]- 288.135351 195.6
[M+Na-2H]- 250.096166 154.5
[M]+ 229.12095142 150.8
[M]- 229.12204858 150.8
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

patents stripe