CID 3069664

85008-91-9

Structural Information

Molecular Formula
C33H32N4
SMILES
CC(CN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6)CN(C)C
InChI
InChI=1S/C33H32N4/c1-24(22-35(2)3)23-36-29-20-12-10-18-27(29)31-32(25-14-6-4-7-15-25)34-37(26-16-8-5-9-17-26)33(31)28-19-11-13-21-30(28)36/h4-21,24H,22-23H2,1-3H3
InChIKey
PQYPMJSSUUAVDR-UHFFFAOYSA-N
Compound name
3-(3,5-diphenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2627 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.26998 227.2
[M+Na]+ 507.25192 233.7
[M-H]- 483.25542 237.5
[M+NH4]+ 502.29652 234.8
[M+K]+ 523.22586 228.5
[M+H-H2O]+ 467.25996 215.0
[M+HCOO]- 529.26090 241.9
[M+CH3COO]- 543.27655 233.7
[M+Na-2H]- 505.23737 227.4
[M]+ 484.26215 226.8
[M]- 484.26325 226.8
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.