CID 150006

82586-03-6

Structural Information

Molecular Formula
C17H16F3N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)C(F)(F)F)N
InChI
InChI=1S/C17H16F3N5O2/c1-2-27-16(26)25-13-7-11-14(15(21)24-13)23-12(8-22-11)9-3-5-10(6-4-9)17(18,19)20/h3-7,22H,2,8H2,1H3,(H3,21,24,25,26)
InChIKey
OBZDAKKBOPWMBN-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

379.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13288 188.1
[M+Na]+ 402.11482 195.8
[M-H]- 378.11832 186.3
[M+NH4]+ 397.15942 195.4
[M+K]+ 418.08876 189.1
[M+H-H2O]+ 362.12286 175.5
[M+HCOO]- 424.12380 200.3
[M+CH3COO]- 438.13945 220.0
[M+Na-2H]- 400.10027 191.7
[M]+ 379.12505 182.1
[M]- 379.12615 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe