CID 362441

Nsc626390

Structural Information

Molecular Formula
C25H24N2O2
SMILES
CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6
InChI
InChI=1S/C25H24N2O2/c1-14-11-12-16-18(13-14)21-22(23-20(16)17-9-5-6-10-19(17)26-23)25(29)27(24(21)28)15-7-3-2-4-8-15/h2-10,14,16,18,21-22,26H,11-13H2,1H3
InChIKey
ZTXBFFRIMLSCDV-UHFFFAOYSA-N
Compound name
9-methyl-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.18378 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 193.8
[M+Na]+ 407.17300 202.2
[M-H]- 383.17650 200.2
[M+NH4]+ 402.21760 209.5
[M+K]+ 423.14694 193.2
[M+H-H2O]+ 367.18104 184.8
[M+HCOO]- 429.18198 205.1
[M+CH3COO]- 443.19763 202.4
[M+Na-2H]- 405.15845 191.2
[M]+ 384.18323 190.6
[M]- 384.18433 190.6
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.