CID 5209985

Benzyl n-[amino(pyrazol-1-yl)methylidene]carbamate

Structural Information

Molecular Formula
C12H12N4O2
SMILES
C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2
InChI
InChI=1S/C12H12N4O2/c13-11(16-8-4-7-14-16)15-12(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,15,17)
InChIKey
BXUMISWXFKCEIA-UHFFFAOYSA-N
Compound name
benzyl N-[amino(pyrazol-1-yl)methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

244.09602 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 154.4
[M+Na]+ 267.08524 164.4
[M+NH4]+ 262.12984 160.6
[M+K]+ 283.05918 161.3
[M-H]- 243.08874 156.8
[M+Na-2H]- 265.07069 161.5
[M]+ 244.09547 156.0
[M]- 244.09657 156.0
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