CID 3069106

Brn 5611436

Structural Information

Molecular Formula
C19H25N5O2
SMILES
COC1=NC(=NC=C1C(=O)NCC2CCCN2CCC3=CC=CC=C3)N
InChI
InChI=1S/C19H25N5O2/c1-26-18-16(13-22-19(20)23-18)17(25)21-12-15-8-5-10-24(15)11-9-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,21,25)(H2,20,22,23)
InChIKey
AHLMSLSPMKTZRF-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.20084 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.208116 184.8
[M+Na]+ 378.190058 189.0
[M-H]- 354.193564 189.8
[M+NH4]+ 373.234663 194.0
[M+K]+ 394.163998 184.1
[M+H-H2O]+ 338.198100 173.3
[M+HCOO]- 400.199041 203.8
[M+CH3COO]- 414.214691 218.0
[M+Na-2H]- 376.175506 185.2
[M]+ 355.20029142 182.7
[M]- 355.20138858 182.7
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.