CID 706399

510761-21-4

Structural Information

Molecular Formula
C15H13N5O2
SMILES
C=CCN1C2=C(C=C(C1=N)C(=O)N)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H13N5O2/c1-2-6-20-12(16)9(13(17)21)8-10-14(20)18-11-5-3-4-7-19(11)15(10)22/h2-5,7-8,16H,1,6H2,(H2,17,21)
InChIKey
QPLBQSDZGWXHEW-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.10693 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 167.4
[M+Na]+ 318.09615 179.4
[M-H]- 294.09965 169.7
[M+NH4]+ 313.14075 180.4
[M+K]+ 334.07009 172.6
[M+H-H2O]+ 278.10419 158.2
[M+HCOO]- 340.10513 188.2
[M+CH3COO]- 354.12078 210.3
[M+Na-2H]- 316.08160 175.0
[M]+ 295.10638 168.9
[M]- 295.10748 168.9
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.