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 164.4
[M+Na]+ 305.10088 174.8
[M-H]- 281.10438 170.9
[M+NH4]+ 300.14548 175.7
[M+K]+ 321.07482 169.3
[M+H-H2O]+ 265.10892 154.6
[M+HCOO]- 327.10986 185.8
[M+CH3COO]- 341.12551 176.1
[M+Na-2H]- 303.08633 169.0
[M]+ 282.11111 164.7
[M]- 282.11221 164.7
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