CID 2770968

510762-58-0

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCCOC
InChI
InChI=1S/C18H20N4O4/c1-3-26-18(24)12-11-13-16(22(15(12)19)9-6-10-25-2)20-14-7-4-5-8-21(14)17(13)23/h4-5,7-8,11,19H,3,6,9-10H2,1-2H3
InChIKey
WTAVLCNPXCXFJO-UHFFFAOYSA-N
Compound name
ethyl 6-imino-7-(3-methoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 182.9
[M+Na]+ 379.13769 197.5
[M+NH4]+ 374.18229 187.9
[M+K]+ 395.11163 190.7
[M-H]- 355.14119 183.7
[M+Na-2H]- 377.12314 187.6
[M]+ 356.14792 185.0
[M]- 356.14902 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.