CID 3066801

Sr 95538

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=CC(=NN(C1=N)CC2=CC(=O)NO2)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)
InChIKey
DHLJRIFIBJGWBS-UHFFFAOYSA-N
Compound name
5-[(6-imino-5-methyl-3-phenylpyridazin-1-yl)methyl]-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

282.11166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 164.2
[M+Na]+ 305.10088 179.3
[M+NH4]+ 300.14548 170.3
[M+K]+ 321.07482 174.7
[M-H]- 281.10438 169.4
[M+Na-2H]- 303.08633 172.8
[M]+ 282.11111 167.7
[M]- 282.11221 167.7
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