CID 91654624

492-02-4

Structural Information

Molecular Formula
C24H30N4O2
SMILES
C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CCN4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5
InChI
InChI=1S/C24H30N4O2/c29-23-5-1-3-21-19-9-17(13-27(21)23)11-25(15-19)7-8-26-12-18-10-20(16-26)22-4-2-6-24(30)28(22)14-18/h1-6,17-20H,7-16H2/t17-,18-,19+,20+/m0/s1
InChIKey
LEXDAVFCJPDCNA-VNTMZGSJSA-N
Compound name
(1R,9S)-11-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24416 204.2
[M+Na]+ 429.22610 218.5
[M+NH4]+ 424.27070 212.6
[M+K]+ 445.20004 208.5
[M-H]- 405.22960 206.9
[M+Na-2H]- 427.21155 204.5
[M]+ 406.23633 207.0
[M]- 406.23743 207.0
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.