CID 3073655

7,15-methanocycloocta(1,2-b':5,4-b')diquinoline-14,16-diamine, 6,7,8,15-tetrahydro-

Structural Information

Molecular Formula
C23H20N4
SMILES
C1C2CC3=NC4=CC=CC=C4C(=C3C1C5=C(C6=CC=CC=C6N=C5C2)N)N
InChI
InChI=1S/C23H20N4/c24-22-13-5-1-3-7-16(13)26-18-10-12-9-15(20(18)22)21-19(11-12)27-17-8-4-2-6-14(17)23(21)25/h1-8,12,15H,9-11H2,(H2,24,26)(H2,25,27)
InChIKey
GSFHPTWMTXDOTC-UHFFFAOYSA-N
Compound name
10,16-diazahexacyclo[11.11.1.02,11.04,9.015,24.017,22]pentacosa-2,4,6,8,10,15,17,19,21,23-decaene-3,23-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.176076 178.8
[M+Na]+ 375.158018 187.9
[M-H]- 351.161524 181.5
[M+NH4]+ 370.202623 193.2
[M+K]+ 391.131958 179.0
[M+H-H2O]+ 335.166060 167.3
[M+HCOO]- 397.167001 191.4
[M+CH3COO]- 411.182651 187.3
[M+Na-2H]- 373.143466 188.3
[M]+ 352.16825142 175.9
[M]- 352.16934858 175.9
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.