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 238.7
[M+Na]+ 568.31592 253.3
[M+NH4]+ 563.36052 243.0
[M+K]+ 584.28986 242.6
[M-H]- 544.31942 247.1
[M+Na-2H]- 566.30137 250.6
[M]+ 545.32615 243.2
[M]- 545.32725 243.2
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.