CID 9589490

Benzyl 2-((1-methylpyrrol-2-yl)methylene)hydrazinecarboxylate

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CN1C=CC=C1/C=N/NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15N3O2/c1-17-9-5-8-13(17)10-15-16-14(18)19-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,16,18)/b15-10+
InChIKey
YQTPAHFGROLFJF-XNTDXEJSSA-N
Compound name
benzyl N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 159.9
[M+Na]+ 280.10564 170.7
[M+NH4]+ 275.15024 166.9
[M+K]+ 296.07958 165.9
[M-H]- 256.10914 163.5
[M+Na-2H]- 278.09109 167.5
[M]+ 257.11587 162.1
[M]- 257.11697 162.1
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.