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 196.9
[M+Na]+ 406.19619 199.6
[M-H]- 382.19969 199.8
[M+NH4]+ 401.24079 196.6
[M+K]+ 422.17013 193.9
[M+H-H2O]+ 366.20423 181.5
[M+HCOO]- 428.20517 203.9
[M+CH3COO]- 442.22082 201.3
[M+Na-2H]- 404.18164 197.5
[M]+ 383.20642 188.2
[M]- 383.20752 188.2
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.