CID 2928151

371143-97-4

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C17H17N5O2/c1-3-8-19-16(23)11-10-12-15(21(4-2)14(11)18)20-13-7-5-6-9-22(13)17(12)24/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,19,23)
InChIKey
WZFFEAVDPLWKPJ-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-2-oxo-N-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

323.1382 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 176.0
[M+Na]+ 346.127418 187.1
[M-H]- 322.130924 178.4
[M+NH4]+ 341.172023 188.1
[M+K]+ 362.101358 180.3
[M+H-H2O]+ 306.135460 166.3
[M+HCOO]- 368.136401 196.8
[M+CH3COO]- 382.152051 216.0
[M+Na-2H]- 344.112866 183.6
[M]+ 323.13765142 179.0
[M]- 323.13874858 179.0
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.