CID 135434934

Nsc716808

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC(C/C(=C/C1=NC2=CC=CC=C2N=C1/C=C(\O)/CC(C)(C)C)/O)(C)C
InChI
InChI=1S/C22H30N2O2/c1-21(2,3)13-15(25)11-19-20(12-16(26)14-22(4,5)6)24-18-10-8-7-9-17(18)23-19/h7-12,25-26H,13-14H2,1-6H3/b15-11-,16-12-
InChIKey
JYFDRIQRFCAFQZ-NFLUSIDLSA-N
Compound name
(Z)-1-[3-[(Z)-2-hydroxy-4,4-dimethylpent-1-enyl]quinoxalin-2-yl]-4,4-dimethylpent-1-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 192.5
[M+Na]+ 377.21996 197.6
[M-H]- 353.22346 191.0
[M+NH4]+ 372.26456 202.9
[M+K]+ 393.19390 192.0
[M+H-H2O]+ 337.22800 185.2
[M+HCOO]- 399.22894 202.4
[M+CH3COO]- 413.24459 212.7
[M+Na-2H]- 375.20541 194.4
[M]+ 354.23019 192.8
[M]- 354.23129 192.8
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.