CID 328111

64781-63-1

Structural Information

Molecular Formula
C24H23N7
SMILES
CCN(CC)C1=C(N=NC2=C3C(=C(N=NC3=NN21)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C24H23N7/c1-4-30(5-2)24-16(3)25-28-23-20-19(17-12-8-6-9-13-17)21(18-14-10-7-11-15-18)26-27-22(20)29-31(23)24/h6-15H,4-5H2,1-3H3
InChIKey
WCKJIPYDZFLIEI-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-methyl-12,13-diphenyl-3,4,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20878 204.5
[M+Na]+ 432.19072 215.0
[M-H]- 408.19422 210.2
[M+NH4]+ 427.23532 210.6
[M+K]+ 448.16466 205.8
[M+H-H2O]+ 392.19876 190.1
[M+HCOO]- 454.19970 220.8
[M+CH3COO]- 468.21535 212.6
[M+Na-2H]- 430.17617 209.2
[M]+ 409.20095 208.8
[M]- 409.20205 208.8
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.