CID 13053670

Brn 5616712

Structural Information

Molecular Formula
C19H29N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3C4CCCCC4)N
InChI
InChI=1S/C19H29N5O2/c1-26-18-16(11-21-19(20)23-18)17(25)22-12-9-14-7-8-15(10-12)24(14)13-5-3-2-4-6-13/h11-15H,2-10H2,1H3,(H,22,25)(H2,20,21,23)/t12?,14-,15+
InChIKey
WDDTUNUJENHUSI-LQDVMPOASA-N
Compound name
2-amino-N-[(1R,5S)-8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.239396 185.6
[M+Na]+ 382.221338 187.4
[M-H]- 358.224844 188.6
[M+NH4]+ 377.265943 196.0
[M+K]+ 398.195278 182.9
[M+H-H2O]+ 342.229380 174.8
[M+HCOO]- 404.230321 196.8
[M+CH3COO]- 418.245971 192.1
[M+Na-2H]- 380.206786 184.3
[M]+ 359.23157142 177.7
[M]- 359.23266858 177.7
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.