CID 210903

Brn 1180486

Structural Information

Molecular Formula
C19H25N7O2
SMILES
C1CN(CCN1CC2=NC(=NC(=N2)N3CCOCC3)N)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H25N7O2/c20-18-21-16(22-19(23-18)26-10-12-28-13-11-26)14-24-6-8-25(9-7-24)17(27)15-4-2-1-3-5-15/h1-5H,6-14H2,(H2,20,21,22,23)
InChIKey
VQTPHIGFQNDDSC-UHFFFAOYSA-N
Compound name
[4-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21425 193.3
[M+Na]+ 406.19619 205.7
[M+NH4]+ 401.24079 197.5
[M+K]+ 422.17013 200.2
[M-H]- 382.19969 198.6
[M+Na-2H]- 404.18164 200.2
[M]+ 383.20642 196.2
[M]- 383.20752 196.2
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.