CID 215867

Brn 0734835

Structural Information

Molecular Formula
C34H39N7
SMILES
C=CCNC1=NC(=NC(=N1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NCC=C
InChI
InChI=1S/C34H39N7/c1-3-21-35-31-37-32(36-22-4-2)39-33(38-31)41-26-24-40(25-27-41)23-20-34(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h3-19H,1-2,20-27H2,(H2,35,36,37,38,39)
InChIKey
MTSQGVVHZYHMOR-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(prop-2-enyl)-6-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.3267 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.33398 236.1
[M+Na]+ 568.31592 235.9
[M-H]- 544.31942 241.7
[M+NH4]+ 563.36052 231.1
[M+K]+ 584.28986 224.1
[M+H-H2O]+ 528.32396 218.4
[M+HCOO]- 590.32490 246.0
[M+CH3COO]- 604.34055 237.5
[M+Na-2H]- 566.30137 238.9
[M]+ 545.32615 229.1
[M]- 545.32725 229.1
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.