CID 3071370

2,4-pyrimidinediamine, 6-(4-(2h-1-benzopyran-3-ylmethyl)-1-piperazinyl)-n,n'-di-2-propenyl-

Structural Information

Molecular Formula
C24H30N6O
SMILES
C=CCNC1=CC(=NC(=N1)NCC=C)N2CCN(CC2)CC3=CC4=CC=CC=C4OC3
InChI
InChI=1S/C24H30N6O/c1-3-9-25-22-16-23(28-24(27-22)26-10-4-2)30-13-11-29(12-14-30)17-19-15-20-7-5-6-8-21(20)31-18-19/h3-8,15-16H,1-2,9-14,17-18H2,(H2,25,26,27,28)
InChIKey
FGOLCJLHGVXEJQ-UHFFFAOYSA-N
Compound name
6-[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2481 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25538 207.0
[M+Na]+ 441.23732 220.1
[M+NH4]+ 436.28192 212.4
[M+K]+ 457.21126 211.1
[M-H]- 417.24082 213.6
[M+Na-2H]- 439.22277 213.1
[M]+ 418.24755 210.5
[M]- 418.24865 210.5
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.