CID 182763

Mivobulin

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N
InChI
InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1
InChIKey
XXBDOTXPQDVHIP-JTQLQIEISA-N
Compound name
ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

9029
Patents

325.15387 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.161146 178.4
[M+Na]+ 348.143088 185.5
[M-H]- 324.146594 180.4
[M+NH4]+ 343.187693 188.0
[M+K]+ 364.117028 179.7
[M+H-H2O]+ 308.151130 168.1
[M+HCOO]- 370.152071 195.5
[M+CH3COO]- 384.167721 212.2
[M+Na-2H]- 346.128536 182.9
[M]+ 325.15332142 176.2
[M]- 325.15441858 176.2
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