CID 9589490

Carbazic acid, 2-((1-methylpyrrol-2-yl)methylene)-, benzyl ester

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]+ 258.123696 157.9
[M+Na]+ 280.105638 164.3
[M-H]- 256.109144 164.7
[M+NH4]+ 275.150243 175.1
[M+K]+ 296.079578 161.7
[M+H-H2O]+ 240.113680 149.0
[M+HCOO]- 302.114621 185.3
[M+CH3COO]- 316.130271 199.3
[M+Na-2H]- 278.091086 163.0
[M]+ 257.11587142 159.7
[M]- 257.11696858 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.