CID 201958

Brn 0629659

Structural Information

Molecular Formula
C18H27N7
SMILES
CN(C)C1=NC(=NC(=N1)N)CCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H27N7/c1-23(2)18-21-16(20-17(19)22-18)9-6-10-24-11-13-25(14-12-24)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H2,19,20,21,22)
InChIKey
CMINKXKOZKPLNL-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-6-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24008 186.7
[M+Na]+ 364.22202 191.2
[M-H]- 340.22552 189.6
[M+NH4]+ 359.26662 192.5
[M+K]+ 380.19596 185.4
[M+H-H2O]+ 324.23006 173.1
[M+HCOO]- 386.23100 201.7
[M+CH3COO]- 400.24665 193.7
[M+Na-2H]- 362.20747 189.8
[M]+ 341.23225 182.8
[M]- 341.23335 182.8
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.