CID 201963

Brn 0631453

Structural Information

Molecular Formula
C25H27N7
SMILES
C1CN(CCN1CCC2=NC(=NC(=N2)NC3=CC=CC4=CC=CC=C43)N)C5=CC=CC=C5
InChI
InChI=1S/C25H27N7/c26-24-28-23(13-14-31-15-17-32(18-16-31)20-9-2-1-3-10-20)29-25(30-24)27-22-12-6-8-19-7-4-5-11-21(19)22/h1-12H,13-18H2,(H3,26,27,28,29,30)
InChIKey
SXRCWMIXFJREJW-UHFFFAOYSA-N
Compound name
2-N-naphthalen-1-yl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24008 204.7
[M+Na]+ 448.22202 209.1
[M-H]- 424.22552 209.5
[M+NH4]+ 443.26662 206.4
[M+K]+ 464.19596 199.0
[M+H-H2O]+ 408.23006 189.0
[M+HCOO]- 470.23100 217.2
[M+CH3COO]- 484.24665 209.6
[M+Na-2H]- 446.20747 209.8
[M]+ 425.23225 198.1
[M]- 425.23335 198.1
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.