CID 3069600

Brn 5641184

Structural Information

Molecular Formula
C21H27N5O2
SMILES
CC1=CC=CC=C1CN2C3CCC2CC(C3)NC(=O)C4=CN=C(N=C4OC)N
InChI
InChI=1S/C21H27N5O2/c1-13-5-3-4-6-14(13)12-26-16-7-8-17(26)10-15(9-16)24-19(27)18-11-23-21(22)25-20(18)28-2/h3-6,11,15-17H,7-10,12H2,1-2H3,(H,24,27)(H2,22,23,25)
InChIKey
MJBOMZLIPOJHES-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.223736 192.7
[M+Na]+ 404.205678 197.5
[M-H]- 380.209184 197.1
[M+NH4]+ 399.250283 202.7
[M+K]+ 420.179618 192.0
[M+H-H2O]+ 364.213720 181.8
[M+HCOO]- 426.214661 207.5
[M+CH3COO]- 440.230311 200.2
[M+Na-2H]- 402.191126 192.5
[M]+ 381.21591142 190.1
[M]- 381.21700858 190.1
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.