CID 701425

371134-80-4

Structural Information

Molecular Formula
C15H15N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H15N5O2/c1-3-19-12(16)9(14(21)17-2)8-10-13(19)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21)
InChIKey
WECRCKBJGKOHFT-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-N-methyl-2-oxo-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

1
Patents

297.1226 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.129876 168.1
[M+Na]+ 320.111818 180.0
[M-H]- 296.115324 171.0
[M+NH4]+ 315.156423 181.5
[M+K]+ 336.085758 174.1
[M+H-H2O]+ 280.119860 158.8
[M+HCOO]- 342.120801 189.4
[M+CH3COO]- 356.136451 210.8
[M+Na-2H]- 318.097266 176.8
[M]+ 297.12205142 171.2
[M]- 297.12314858 171.2
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

patents stripe