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

74
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 153.5
[M+Na]+ 267.08524 159.7
[M-H]- 243.08874 158.6
[M+NH4]+ 262.12984 169.3
[M+K]+ 283.05918 157.6
[M+H-H2O]+ 227.09328 144.0
[M+HCOO]- 289.09422 178.6
[M+CH3COO]- 303.10987 194.5
[M+Na-2H]- 265.07069 158.3
[M]+ 244.09547 153.0
[M]- 244.09657 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