CID 456891

5pyraz-oxazol nh2 deriv.

Structural Information

Molecular Formula
C13H14N4O
SMILES
CCNC1=NC2=C(O1)C(=NN2C3=CC=CC=C3)C
InChI
InChI=1S/C13H14N4O/c1-3-14-13-15-12-11(18-13)9(2)16-17(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
CBDOLVUGGOILNP-UHFFFAOYSA-N
Compound name
N-ethyl-3-methyl-1-phenylpyrazolo[3,4-d][1,3]oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.11676 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12404 152.7
[M+Na]+ 265.10598 164.0
[M-H]- 241.10948 158.6
[M+NH4]+ 260.15058 169.7
[M+K]+ 281.07992 160.9
[M+H-H2O]+ 225.11402 144.4
[M+HCOO]- 287.11496 176.6
[M+CH3COO]- 301.13061 166.3
[M+Na-2H]- 263.09143 158.4
[M]+ 242.11621 157.4
[M]- 242.11731 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.