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]+ 296.114206 167.4
[M+Na]+ 318.096148 179.4
[M-H]- 294.099654 169.7
[M+NH4]+ 313.140753 180.4
[M+K]+ 334.070088 172.6
[M+H-H2O]+ 278.104190 158.2
[M+HCOO]- 340.105131 188.2
[M+CH3COO]- 354.120781 210.3
[M+Na-2H]- 316.081596 175.0
[M]+ 295.10638142 168.9
[M]- 295.10747858 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.