CID 3071357

1,3,5-triazine-2,4-diamine, 6-(4-(2h-1-benzopyran-3-ylmethyl)-1-piperazinyl)-n,n'-di-2-propenyl-, monomethanesulfonate

Structural Information

Molecular Formula
C23H29N7O
SMILES
C=CCNC1=NC(=NC(=N1)N2CCN(CC2)CC3=CC4=CC=CC=C4OC3)NCC=C
InChI
InChI=1S/C23H29N7O/c1-3-9-24-21-26-22(25-10-4-2)28-23(27-21)30-13-11-29(12-14-30)16-18-15-19-7-5-6-8-20(19)31-17-18/h3-8,15H,1-2,9-14,16-17H2,(H2,24,25,26,27,28)
InChIKey
RGSIFFAINFRUFZ-UHFFFAOYSA-N
Compound name
6-[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.24335 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.250626 207.8
[M+Na]+ 442.232568 211.6
[M-H]- 418.236074 210.3
[M+NH4]+ 437.277173 209.1
[M+K]+ 458.206508 203.6
[M+H-H2O]+ 402.240610 192.9
[M+HCOO]- 464.241551 218.8
[M+CH3COO]- 478.257201 212.4
[M+Na-2H]- 440.218016 211.1
[M]+ 419.24280142 203.3
[M]- 419.24389858 203.3
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.