CID 117438441

1870901-39-5

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NN2)N
InChI
InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)11-8-12(15)18-17-11/h4-8H,1-3H3,(H,16,19)(H3,15,17,18)
InChIKey
RCONOSRGEQSAKL-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(3-amino-1H-pyrazol-5-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.14297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 164.5
[M+Na]+ 297.13219 171.1
[M-H]- 273.13569 167.6
[M+NH4]+ 292.17679 178.5
[M+K]+ 313.10613 167.5
[M+H-H2O]+ 257.14023 156.3
[M+HCOO]- 319.14117 185.1
[M+CH3COO]- 333.15682 199.1
[M+Na-2H]- 295.11764 168.0
[M]+ 274.14242 162.7
[M]- 274.14352 162.7
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

patents stripe