CID 201977

Brn 0632760

Structural Information

Molecular Formula
C22H27N7
SMILES
CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N7/c1-17-7-5-6-10-19(17)24-22-26-20(25-21(23)27-22)11-12-28-13-15-29(16-14-28)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H3,23,24,25,26,27)
InChIKey
LVUZHBFYVLCTRZ-UHFFFAOYSA-N
Compound name
2-N-(2-methylphenyl)-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

389.2328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24008 197.7
[M+Na]+ 412.22202 212.4
[M+NH4]+ 407.26662 203.6
[M+K]+ 428.19596 203.8
[M-H]- 388.22552 204.8
[M+Na-2H]- 410.20747 208.2
[M]+ 389.23225 201.7
[M]- 389.23335 201.7
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.