CID 5272762

Schembl9804140

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC3=C(C=C2)C4=CC=CC=C4N3
InChI
InChI=1S/C23H26N2O2/c1-17-15-19(27-25-17)9-5-3-2-4-8-14-26-18-12-13-21-20-10-6-7-11-22(20)24-23(21)16-18/h6-7,10-13,15-16,24H,2-5,8-9,14H2,1H3
InChIKey
BWHIMVNIYIIAET-UHFFFAOYSA-N
Compound name
5-[7-(9H-carbazol-2-yloxy)heptyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.19943 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.8
[M+Na]+ 385.18865 198.1
[M-H]- 361.19215 194.6
[M+NH4]+ 380.23325 202.6
[M+K]+ 401.16259 192.0
[M+H-H2O]+ 345.19669 180.0
[M+HCOO]- 407.19763 209.3
[M+CH3COO]- 421.21328 199.4
[M+Na-2H]- 383.17410 191.6
[M]+ 362.19888 196.5
[M]- 362.19998 196.5
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.