CID 388735

Nsc683789

Structural Information

Molecular Formula
C25H14N2O
SMILES
C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=CC=CC=C63
InChI
InChI=1S/C25H14N2O/c28-25-18-12-5-4-11-17(18)23-22-19(14-21(27-23)15-8-2-1-3-9-15)16-10-6-7-13-20(16)26-24(22)25/h1-14H
InChIKey
KANYAAXIIQKOJM-UHFFFAOYSA-N
Compound name
11-phenyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

358.11063 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11791 186.8
[M+Na]+ 381.09985 197.4
[M-H]- 357.10335 193.6
[M+NH4]+ 376.14445 199.9
[M+K]+ 397.07379 188.2
[M+H-H2O]+ 341.10789 173.5
[M+HCOO]- 403.10883 202.6
[M+CH3COO]- 417.12448 196.4
[M+Na-2H]- 379.08530 196.5
[M]+ 358.11008 188.4
[M]- 358.11118 188.4
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

patents stripe