CID 210898

21868-47-3

Structural Information

Molecular Formula
C18H25N7O
SMILES
C1CN(CCN1CC2=NC(=NC(=N2)N3CCOCC3)N)C4=CC=CC=C4
InChI
InChI=1S/C18H25N7O/c19-17-20-16(21-18(22-17)25-10-12-26-13-11-25)14-23-6-8-24(9-7-23)15-4-2-1-3-5-15/h1-5H,6-14H2,(H2,19,20,21,22)
InChIKey
XOJPBSDJHKZZML-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21207 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21935 191.3
[M+Na]+ 378.20129 194.7
[M-H]- 354.20479 194.1
[M+NH4]+ 373.24589 192.4
[M+K]+ 394.17523 188.4
[M+H-H2O]+ 338.20933 175.9
[M+HCOO]- 400.21027 199.2
[M+CH3COO]- 414.22592 196.3
[M+Na-2H]- 376.18674 193.3
[M]+ 355.21152 182.2
[M]- 355.21262 182.2
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.