CID 3069652

85008-81-7

Structural Information

Molecular Formula
C32H32N4
SMILES
CN(C)CCCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H32N4/c1-34(2)22-13-23-35-28-20-11-9-18-26(28)30-31(24-14-5-3-6-15-24)33-36(25-16-7-4-8-17-25)32(30)27-19-10-12-21-29(27)35/h3-12,14-21,30,32H,13,22-23H2,1-2H3
InChIKey
ZIYMKKWQGBZLJZ-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-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.2627 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26998 224.0
[M+Na]+ 495.25192 230.3
[M-H]- 471.25542 234.0
[M+NH4]+ 490.29652 232.0
[M+K]+ 511.22586 224.7
[M+H-H2O]+ 455.25996 211.4
[M+HCOO]- 517.26090 238.6
[M+CH3COO]- 531.27655 230.5
[M+Na-2H]- 493.23737 224.5
[M]+ 472.26215 222.4
[M]- 472.26325 222.4
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.