CID 706437

489423-68-9

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC
InChI
InChI=1S/C17H19N5O2/c1-4-19-16(23)11-9-12-15(21(5-2)13(11)18)20-14-10(3)7-6-8-22(14)17(12)24/h6-9,18H,4-5H2,1-3H3,(H,19,23)
InChIKey
GVSAJCKRQIGBFQ-UHFFFAOYSA-N
Compound name
N,7-diethyl-6-imino-11-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

0
Patents

325.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 178.2
[M+Na]+ 348.14309 189.9
[M-H]- 324.14659 181.0
[M+NH4]+ 343.18769 190.6
[M+K]+ 364.11703 183.7
[M+H-H2O]+ 308.15113 168.6
[M+HCOO]- 370.15207 198.7
[M+CH3COO]- 384.16772 218.1
[M+Na-2H]- 346.12854 184.9
[M]+ 325.15332 182.3
[M]- 325.15442 182.3
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.