CID 3069120

84332-27-4

Structural Information

Molecular Formula
C18H22N4O2
SMILES
COC1=NC=NC=C1C(=O)NCC2CCCN2CC3=CC=CC=C3
InChI
InChI=1S/C18H22N4O2/c1-24-18-16(11-19-13-21-18)17(23)20-10-15-8-5-9-22(15)12-14-6-3-2-4-7-14/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3,(H,20,23)
InChIKey
OOAPLBGTYQHGGW-UHFFFAOYSA-N
Compound name
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 177.2
[M+Na]+ 349.16352 181.9
[M-H]- 325.16702 182.4
[M+NH4]+ 344.20812 187.8
[M+K]+ 365.13746 177.4
[M+H-H2O]+ 309.17156 165.8
[M+HCOO]- 371.17250 196.1
[M+CH3COO]- 385.18815 209.2
[M+Na-2H]- 347.14897 179.0
[M]+ 326.17375 176.0
[M]- 326.17485 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.