CID 3055411

72412-13-6

Structural Information

Molecular Formula
C16H26N4O2
SMILES
CCCC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC
InChI
InChI=1S/C16H26N4O2/c1-4-7-14-17-11-13(16(19-14)22-3)15(21)18-10-12-8-6-9-20(12)5-2/h11-12H,4-10H2,1-3H3,(H,18,21)
InChIKey
SIAWTQRRAQQHFN-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.20557 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21285 175.7
[M+Na]+ 329.19479 181.0
[M-H]- 305.19829 177.9
[M+NH4]+ 324.23939 188.1
[M+K]+ 345.16873 177.8
[M+H-H2O]+ 289.20283 165.7
[M+HCOO]- 351.20377 193.9
[M+CH3COO]- 365.21942 208.5
[M+Na-2H]- 327.18024 175.3
[M]+ 306.20502 176.8
[M]- 306.20612 176.8
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

patents stripe