CID 5747727

Brn 4215035

Structural Information

Molecular Formula
C30H24N4O2
SMILES
CC(=O)NC1=C/C/2=C(/N=C3/C(=C(\N=C2C=C1)/C4=CC=CC=C4)/C=C(C=C3)NC(=O)C)\C5=CC=CC=C5
InChI
InChI=1S/C30H24N4O2/c1-19(35)31-23-13-15-27-25(17-23)29(21-9-5-3-6-10-21)34-28-16-14-24(32-20(2)36)18-26(28)30(33-27)22-11-7-4-8-12-22/h3-18H,1-2H3,(H,31,35)(H,32,36)/b29-25-,30-26-,33-27?,33-30?,34-28?,34-29?
InChIKey
BDPAADFEOANKJX-WYYZVQACSA-N
Compound name
N-[(6Z,12Z)-2-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1899 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19718 196.5
[M+Na]+ 495.17912 202.1
[M+NH4]+ 490.22372 198.4
[M+K]+ 511.15306 198.3
[M-H]- 471.18262 198.9
[M+Na-2H]- 493.16457 199.2
[M]+ 472.18935 198.0
[M]- 472.19045 198.0
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.