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]+ 344.212106 181.5
[M+Na]+ 366.194048 188.1
[M-H]- 342.197554 185.7
[M+NH4]+ 361.238653 197.0
[M+K]+ 382.167988 179.0
[M+H-H2O]+ 326.202090 170.8
[M+HCOO]- 388.203031 191.8
[M+CH3COO]- 402.218681 189.6
[M+Na-2H]- 364.179496 181.4
[M]+ 343.20428142 175.5
[M]- 343.20537858 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.