CID 3151353

371226-15-2

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCCCOC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C18H21N5O3/c1-3-22-15(19)12(17(24)20-8-6-10-26-2)11-13-16(22)21-14-7-4-5-9-23(14)18(13)25/h4-5,7,9,11,19H,3,6,8,10H2,1-2H3,(H,20,24)
InChIKey
RONDZKWDQFQLNH-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-N-(3-methoxypropyl)-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

355.16443 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.171706 184.1
[M+Na]+ 378.153648 194.1
[M-H]- 354.157154 186.3
[M+NH4]+ 373.198253 194.8
[M+K]+ 394.127588 188.4
[M+H-H2O]+ 338.161690 173.8
[M+HCOO]- 400.162631 204.4
[M+CH3COO]- 414.178281 222.0
[M+Na-2H]- 376.139096 191.3
[M]+ 355.16388142 189.4
[M]- 355.16497858 189.4
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.