CID 59558736

Mk2-in-4

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CN1CCOC2=C1C=CC(=C2)C3=NC=C4CCC5=C(C4=C3)NC6=C5C(=O)NCC67CC7
InChI
InChI=1S/C25H24N4O2/c1-29-8-9-31-20-10-14(3-5-19(20)29)18-11-17-15(12-26-18)2-4-16-21-23(28-22(16)17)25(6-7-25)13-27-24(21)30/h3,5,10-12,28H,2,4,6-9,13H2,1H3,(H,27,30)
InChIKey
HYWDWAXZNWIOQW-UHFFFAOYSA-N
Compound name
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

412.1899 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 206.1
[M+Na]+ 435.17912 223.1
[M+NH4]+ 430.22372 216.6
[M+K]+ 451.15306 215.2
[M-H]- 411.18262 218.9
[M+Na-2H]- 433.16457 211.8
[M]+ 412.18935 213.7
[M]- 412.19045 213.7
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