CID 361906

Nsc625318

Structural Information

Molecular Formula
C23H22N2O
SMILES
CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3C5=CC=CC=C5O
InChI
InChI=1S/C23H22N2O/c1-15-7-9-20-17(11-15)13-24-21-10-8-16(2)12-18(21)14-25(20)23(24)19-5-3-4-6-22(19)26/h3-12,23,26H,13-14H2,1-2H3
InChIKey
YLAXJAFJRPVOPH-UHFFFAOYSA-N
Compound name
2-(5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-17-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18050 185.1
[M+Na]+ 365.16244 193.5
[M-H]- 341.16594 188.6
[M+NH4]+ 360.20704 198.6
[M+K]+ 381.13638 185.4
[M+H-H2O]+ 325.17048 174.0
[M+HCOO]- 387.17142 196.3
[M+CH3COO]- 401.18707 193.7
[M+Na-2H]- 363.14789 190.0
[M]+ 342.17267 183.3
[M]- 342.17377 183.3
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.