CID 3069105

Brn 5607234

Structural Information

Molecular Formula
C17H27N5O2
SMILES
COC1=NC(=NC=C1C(=O)NCC2CCCN2C3CCCCC3)N
InChI
InChI=1S/C17H27N5O2/c1-24-16-14(11-20-17(18)21-16)15(23)19-10-13-8-5-9-22(13)12-6-3-2-4-7-12/h11-13H,2-10H2,1H3,(H,19,23)(H2,18,20,21)
InChIKey
VJIFLQAGUWNNPP-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21646 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22374 180.0
[M+Na]+ 356.20568 182.1
[M-H]- 332.20918 184.1
[M+NH4]+ 351.25028 189.8
[M+K]+ 372.17962 178.3
[M+H-H2O]+ 316.21372 168.8
[M+HCOO]- 378.21466 195.4
[M+CH3COO]- 392.23031 213.3
[M+Na-2H]- 354.19113 178.3
[M]+ 333.21591 173.1
[M]- 333.21701 173.1
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.