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 157.9
[M+Na]+ 280.10564 164.3
[M-H]- 256.10914 164.7
[M+NH4]+ 275.15024 175.1
[M+K]+ 296.07958 161.7
[M+H-H2O]+ 240.11368 149.0
[M+HCOO]- 302.11462 185.3
[M+CH3COO]- 316.13027 199.3
[M+Na-2H]- 278.09109 163.0
[M]+ 257.11587 159.7
[M]- 257.11697 159.7
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.