CID 3071847

Brn 5452045

Structural Information

Molecular Formula
C19H19N5O
SMILES
CN(C)C=NC(=O)C1=C2CCCN2C3=C1N=CN=C3C4=CC=CC=C4
InChI
InChI=1S/C19H19N5O/c1-23(2)12-22-19(25)15-14-9-6-10-24(14)18-16(20-11-21-17(15)18)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKey
LEJAHCBNVIYDIG-UHFFFAOYSA-N
Compound name
N-(dimethylaminomethylidene)-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

333.15897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 178.4
[M+Na]+ 356.14819 186.8
[M-H]- 332.15169 186.5
[M+NH4]+ 351.19279 194.3
[M+K]+ 372.12213 182.6
[M+H-H2O]+ 316.15623 168.1
[M+HCOO]- 378.15717 201.8
[M+CH3COO]- 392.17282 189.8
[M+Na-2H]- 354.13364 181.6
[M]+ 333.15842 182.1
[M]- 333.15952 182.1
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.