CID 28309115

1040682-38-9

Structural Information

Molecular Formula
C19H23F3N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F
InChI
InChI=1S/C19H23F3N4O2/c1-18(2,3)28-17(27)26-10-7-12(8-11-26)24-16-13-4-5-15(19(20,21)22)25-14(13)6-9-23-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,23,24)
InChIKey
CFSXTMRLQCTJHD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1773 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18458 196.4
[M+Na]+ 419.16652 201.9
[M-H]- 395.17002 195.2
[M+NH4]+ 414.21112 203.9
[M+K]+ 435.14046 196.9
[M+H-H2O]+ 379.17456 183.7
[M+HCOO]- 441.17550 204.4
[M+CH3COO]- 455.19115 222.7
[M+Na-2H]- 417.15197 199.3
[M]+ 396.17675 190.4
[M]- 396.17785 190.4
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.