CID 146526316

7jra3f47td

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CC1=CC(=C(C=C1)OC2=NC=C(N=C2)CN3CCO[C@@H](C3)C(=O)NC)F
InChI
InChI=1S/C18H21FN4O3/c1-12-3-4-15(14(19)7-12)26-17-9-21-13(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKey
LTPRQGCLGGENCK-INIZCTEOSA-N
Compound name
(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

360.15976 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 187.7
[M+Na]+ 383.14898 193.5
[M-H]- 359.15248 192.2
[M+NH4]+ 378.19358 193.9
[M+K]+ 399.12292 189.8
[M+H-H2O]+ 343.15702 174.7
[M+HCOO]- 405.15796 202.2
[M+CH3COO]- 419.17361 217.3
[M+Na-2H]- 381.13443 189.3
[M]+ 360.15921 185.9
[M]- 360.16031 185.9
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

patents stripe