CID 103368

65355-52-4

Structural Information

Molecular Formula
C24H21N5O
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C5C4)C#N)O2
InChI
InChI=1S/C24H21N5O/c1-3-28(4-2)17-10-9-15-11-18-22(30-21(15)12-17)19(13-25)23(26)29-14-16-7-5-6-8-20(16)27-24(18)29/h5-12,26H,3-4,14H2,1-2H3
InChIKey
WQVJCOFEBPWBFJ-UHFFFAOYSA-N
Compound name
18-(diethylamino)-12-imino-15-oxa-3,11-diazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,13,16(21),17,19-nonaene-13-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18190 207.7
[M+Na]+ 418.16384 223.9
[M+NH4]+ 413.20844 212.8
[M+K]+ 434.13778 210.4
[M-H]- 394.16734 207.0
[M+Na-2H]- 416.14929 209.8
[M]+ 395.17407 209.3
[M]- 395.17517 209.3
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.