CID 494828

108206-29-7

Structural Information

Molecular Formula
C23H25N3
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5)C6=CC=CC=C6N4
InChI
InChI=1S/C23H25N3/c1-2-8-16(9-3-1)23-25-14-7-6-12-20(25)22-21-18(13-15-26(22)23)17-10-4-5-11-19(17)24-21/h1-5,8-11,20,22-24H,6-7,12-15H2
InChIKey
IVCBTXQYHREPNE-UHFFFAOYSA-N
Compound name
9-phenyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.20483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.21211 181.5
[M+Na]+ 366.19405 188.1
[M-H]- 342.19755 185.7
[M+NH4]+ 361.23865 197.0
[M+K]+ 382.16799 179.0
[M+H-H2O]+ 326.20209 170.8
[M+HCOO]- 388.20303 191.8
[M+CH3COO]- 402.21868 189.6
[M+Na-2H]- 364.17950 181.4
[M]+ 343.20428 175.5
[M]- 343.20538 175.5
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.