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]+ 353.17608 178.8
[M+Na]+ 375.15802 187.9
[M-H]- 351.16152 181.5
[M+NH4]+ 370.20262 193.2
[M+K]+ 391.13196 179.0
[M+H-H2O]+ 335.16606 167.3
[M+HCOO]- 397.16700 191.4
[M+CH3COO]- 411.18265 187.3
[M+Na-2H]- 373.14347 188.3
[M]+ 352.16825 175.9
[M]- 352.16935 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.