CID 3069605

Brn 5653439

Structural Information

Molecular Formula
C21H27N5O3
SMILES
COC1=CC=CC=C1CN2C3CCC2CC(C3)NC(=O)C4=CN=C(N=C4OC)N
InChI
InChI=1S/C21H27N5O3/c1-28-18-6-4-3-5-13(18)12-26-15-7-8-16(26)10-14(9-15)24-19(27)17-11-23-21(22)25-20(17)29-2/h3-6,11,14-16H,7-10,12H2,1-2H3,(H,24,27)(H2,22,23,25)
InChIKey
TVIASDDTZYSCHV-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-[8-[(2-methoxyphenyl)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

397.2114 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.21868 194.7
[M+Na]+ 420.20062 199.2
[M-H]- 396.20412 199.0
[M+NH4]+ 415.24522 203.9
[M+K]+ 436.17456 194.5
[M+H-H2O]+ 380.20866 183.7
[M+HCOO]- 442.20960 209.7
[M+CH3COO]- 456.22525 202.1
[M+Na-2H]- 418.18607 194.8
[M]+ 397.21085 193.5
[M]- 397.21195 193.5
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.