CID 135770392

Carbazic acid, 2-((pyrrol-2-yl)methylene)-, benzyl ester

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1=CC=C(C=C1)COC(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C13H13N3O2/c17-13(16-15-9-12-7-4-8-14-12)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,16,17)/b15-9+
InChIKey
OJINFHONTDUAGF-OQLLNIDSSA-N
Compound name
benzyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 156.0
[M+Na]+ 266.08999 166.0
[M+NH4]+ 261.13459 162.7
[M+K]+ 282.06393 161.6
[M-H]- 242.09349 159.0
[M+Na-2H]- 264.07544 163.4
[M]+ 243.10022 157.8
[M]- 243.10132 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.