CID 13382864

Brn 5631280

Structural Information

Molecular Formula
C21H27N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCC4=CC=CC=C4)N
InChI
InChI=1S/C21H27N5O2/c1-28-20-18(13-23-21(22)25-20)19(27)24-15-11-16-7-8-17(12-15)26(16)10-9-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,24,27)(H2,22,23,25)/t15?,16-,17+
InChIKey
NEHPIAIJWUKTFP-ALOPSCKCSA-N
Compound name
2-amino-4-methoxy-N-[(1R,5S)-8-(2-phenylethyl)-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 192.7
[M+Na]+ 404.20568 203.0
[M+NH4]+ 399.25028 198.9
[M+K]+ 420.17962 198.2
[M-H]- 380.20918 196.6
[M+Na-2H]- 402.19113 197.0
[M]+ 381.21591 194.9
[M]- 381.21701 194.9
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.