CID 13180195

90358-76-2

Structural Information

Molecular Formula
C33H34N4
SMILES
CC(CN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6)CN(C)C
InChI
InChI=1S/C33H34N4/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/h4-21,24,31,33H,22-23H2,1-3H3
InChIKey
MOUNQKXDMABNPX-UHFFFAOYSA-N
Compound name
3-(3,5-diphenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.27835 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.28563 227.2
[M+Na]+ 509.26757 232.7
[M-H]- 485.27107 237.1
[M+NH4]+ 504.31217 234.6
[M+K]+ 525.24151 227.6
[M+H-H2O]+ 469.27561 214.8
[M+HCOO]- 531.27655 240.6
[M+CH3COO]- 545.29220 233.2
[M+Na-2H]- 507.25302 226.5
[M]+ 486.27780 225.4
[M]- 486.27890 225.4
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.