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]+ 356.20812 184.8
[M+Na]+ 378.19006 189.0
[M-H]- 354.19356 189.8
[M+NH4]+ 373.23466 194.0
[M+K]+ 394.16400 184.1
[M+H-H2O]+ 338.19810 173.3
[M+HCOO]- 400.19904 203.8
[M+CH3COO]- 414.21469 218.0
[M+Na-2H]- 376.17551 185.2
[M]+ 355.20029 182.7
[M]- 355.20139 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.