CID 5209985

152120-62-2

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

82
Patents

244.09602 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.103296 153.5
[M+Na]+ 267.085238 159.7
[M-H]- 243.088744 158.6
[M+NH4]+ 262.129843 169.3
[M+K]+ 283.059178 157.6
[M+H-H2O]+ 227.093280 144.0
[M+HCOO]- 289.094221 178.6
[M+CH3COO]- 303.109871 194.5
[M+Na-2H]- 265.070686 158.3
[M]+ 244.09547142 153.0
[M]- 244.09656858 153.0
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