CID 701421

371235-40-4

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C
InChI
InChI=1S/C17H17N5O2/c1-3-8-22-14(18)11(16(23)19-4-2)10-12-15(22)20-13-7-5-6-9-21(13)17(12)24/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,19,23)
InChIKey
RDYNRMHUKMIMPZ-UHFFFAOYSA-N
Compound name
N-ethyl-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

323.1382 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 174.5
[M+Na]+ 346.12742 189.1
[M+NH4]+ 341.17202 180.0
[M+K]+ 362.10136 181.8
[M-H]- 322.13092 176.3
[M+Na-2H]- 344.11287 180.0
[M]+ 323.13765 176.9
[M]- 323.13875 176.9
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.