CID 210897

21868-46-2

Structural Information

Molecular Formula
C19H27N7
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H27N7/c20-18-21-17(22-19(23-18)26-9-5-2-6-10-26)15-24-11-13-25(14-12-24)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,20,21,22,23)
InChIKey
MRRZUUQHHHNNHI-UHFFFAOYSA-N
Compound name
4-[(4-phenylpiperazin-1-yl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24008 191.2
[M+Na]+ 376.22202 194.0
[M-H]- 352.22552 193.1
[M+NH4]+ 371.26662 193.7
[M+K]+ 392.19596 186.1
[M+H-H2O]+ 336.23006 175.8
[M+HCOO]- 398.23100 199.6
[M+CH3COO]- 412.24665 195.9
[M+Na-2H]- 374.20747 192.7
[M]+ 353.23225 180.5
[M]- 353.23335 180.5
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.