CID 11647372

Zstk474

Structural Information

Molecular Formula
C19H21F2N7O2
SMILES
C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5
InChI
InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
InChIKey
HGVNLRPZOWWDKD-UHFFFAOYSA-N
Compound name
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

102
References

7583
Patents

417.1725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17978 198.3
[M+Na]+ 440.16172 210.9
[M+NH4]+ 435.20632 201.6
[M+K]+ 456.13566 207.5
[M-H]- 416.16522 201.4
[M+Na-2H]- 438.14717 202.7
[M]+ 417.17195 200.6
[M]- 417.17305 200.6
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