CID 201951

Brn 0631608

Structural Information

Molecular Formula
C21H31N7
SMILES
C1CCC(CC1)NC2=NC(=NC(=N2)N)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H31N7/c22-20-24-19(25-21(26-20)23-17-7-3-1-4-8-17)11-12-27-13-15-28(16-14-27)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H3,22,23,24,25,26)
InChIKey
LMJCFPGUKZPMHH-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-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

381.2641 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27138 195.1
[M+Na]+ 404.25332 196.2
[M-H]- 380.25682 198.2
[M+NH4]+ 399.29792 197.6
[M+K]+ 420.22726 188.4
[M+H-H2O]+ 364.26136 180.0
[M+HCOO]- 426.26230 205.5
[M+CH3COO]- 440.27795 199.5
[M+Na-2H]- 402.23877 196.8
[M]+ 381.26355 184.2
[M]- 381.26465 184.2
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.