CID 383339

Nsc671453

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC1=CC(=NC2=CC=CC=C12)C34C(C5C(O3)COC(O5)(C)C)OC(O4)(C)C
InChI
InChI=1S/C21H25NO5/c1-12-10-16(22-14-9-7-6-8-13(12)14)21-18(26-20(4,5)27-21)17-15(24-21)11-23-19(2,3)25-17/h6-10,15,17-18H,11H2,1-5H3
InChIKey
ZUAHQDPDUQIUOG-UHFFFAOYSA-N
Compound name
4-methyl-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 182.6
[M+Na]+ 394.16250 193.3
[M-H]- 370.16600 193.9
[M+NH4]+ 389.20710 199.4
[M+K]+ 410.13644 194.9
[M+H-H2O]+ 354.17054 177.3
[M+HCOO]- 416.17148 192.6
[M+CH3COO]- 430.18713 194.4
[M+Na-2H]- 392.14795 186.9
[M]+ 371.17273 188.6
[M]- 371.17383 188.6
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.