CID 3151327

371205-66-2

Structural Information

Molecular Formula
C20H21N5O3
SMILES
C=CCN1C2=C(C=C(C1=N)C(=O)NCC3CCCO3)C(=O)N4C=CC=CC4=N2
InChI
InChI=1S/C20H21N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-4,7,9,11,13,21H,1,5-6,8,10,12H2,(H,22,26)
InChIKey
BSBRSVRQAVQZOA-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N-(oxolan-2-ylmethyl)-7-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

379.16443 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17171 189.2
[M+Na]+ 402.15365 202.2
[M+NH4]+ 397.19825 194.3
[M+K]+ 418.12759 197.5
[M-H]- 378.15715 193.3
[M+Na-2H]- 400.13910 193.4
[M]+ 379.16388 191.9
[M]- 379.16498 191.9
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.