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]+ 324.14548 176.0
[M+Na]+ 346.12742 187.1
[M-H]- 322.13092 178.4
[M+NH4]+ 341.17202 188.1
[M+K]+ 362.10136 180.3
[M+H-H2O]+ 306.13546 166.3
[M+HCOO]- 368.13640 196.8
[M+CH3COO]- 382.15205 216.0
[M+Na-2H]- 344.11287 183.6
[M]+ 323.13765 179.0
[M]- 323.13875 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.