CID 3071845

Brn 5446753

Structural Information

Molecular Formula
C16H14N4O
SMILES
C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C16H14N4O/c17-16(21)12-11-7-4-8-20(11)15-13(18-9-19-14(12)15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,17,21)
InChIKey
RAEKXQFUMXIJTQ-UHFFFAOYSA-N
Compound name
1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.11676 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 162.2
[M+Na]+ 301.10598 172.2
[M-H]- 277.10948 167.6
[M+NH4]+ 296.15058 179.2
[M+K]+ 317.07992 166.6
[M+H-H2O]+ 261.11402 153.4
[M+HCOO]- 323.11496 182.9
[M+CH3COO]- 337.13061 174.1
[M+Na-2H]- 299.09143 165.6
[M]+ 278.11621 162.6
[M]- 278.11731 162.6
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.