CID 3063319

100476-63-9

Structural Information

Molecular Formula
C26H22N4O3
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5)C2=O
InChI
InChI=1S/C26H22N4O3/c31-26-24(20-5-1-3-7-22(20)30(26)17-29-13-15-32-16-14-29)27-19-11-9-18(10-12-19)25-28-21-6-2-4-8-23(21)33-25/h1-12H,13-17H2
InChIKey
UDGZXMPSDGDWOL-UHFFFAOYSA-N
Compound name
3-[4-(1,3-benzoxazol-2-yl)phenyl]imino-1-(morpholin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 203.0
[M+Na]+ 461.15842 210.6
[M-H]- 437.16192 216.1
[M+NH4]+ 456.20302 210.3
[M+K]+ 477.13236 205.7
[M+H-H2O]+ 421.16646 191.2
[M+HCOO]- 483.16740 219.5
[M+CH3COO]- 497.18305 211.9
[M+Na-2H]- 459.14387 202.9
[M]+ 438.16865 203.8
[M]- 438.16975 203.8
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.