CID 659983

371923-14-7

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC=C
InChI
InChI=1S/C18H18N4O3/c1-4-8-21-14(19)12(18(24)25-5-2)10-13-16(21)20-15-11(3)7-6-9-22(15)17(13)23/h4,6-7,9-10,19H,1,5,8H2,2-3H3
InChIKey
ZUBHQTQLWFLJIY-UHFFFAOYSA-N
Compound name
ethyl 6-imino-11-methyl-2-oxo-7-prop-2-enyl-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

338.13788 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 179.2
[M+Na]+ 361.12710 194.8
[M+NH4]+ 356.17170 184.5
[M+K]+ 377.10104 187.5
[M-H]- 337.13060 180.3
[M+Na-2H]- 359.11255 184.0
[M]+ 338.13733 181.6
[M]- 338.13843 181.6
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.