CID 3151399

371923-17-0

Structural Information

Molecular Formula
C18H19N5O3
SMILES
COCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C18H19N5O3/c1-3-7-20-17(24)12-11-13-16(23(15(12)19)9-10-26-2)21-14-6-4-5-8-22(14)18(13)25/h3-6,8,11,19H,1,7,9-10H2,2H3,(H,20,24)
InChIKey
LHSDHXKVQLRKQI-UHFFFAOYSA-N
Compound name
6-imino-7-(2-methoxyethyl)-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

353.1488 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 182.9
[M+Na]+ 376.13802 193.3
[M-H]- 352.14152 185.2
[M+NH4]+ 371.18262 193.7
[M+K]+ 392.11196 187.0
[M+H-H2O]+ 336.14606 172.8
[M+HCOO]- 398.14700 203.5
[M+CH3COO]- 412.16265 221.3
[M+Na-2H]- 374.12347 190.2
[M]+ 353.14825 187.6
[M]- 353.14935 187.6
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.