CID 134814868

Daqe

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCCCCC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCC
InChI
InChI=1S/C22H26N2O4/c1-3-5-7-9-13-11-15(25)23-19-17(13)21(27)18-14(10-8-6-4-2)12-16(26)24-20(18)22(19)28/h11-12H,3-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
JTXSSZYKSHIXRS-UHFFFAOYSA-N
Compound name
4,6-dipentyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.18927 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 193.5
[M+Na]+ 405.17849 202.8
[M-H]- 381.18199 193.5
[M+NH4]+ 400.22309 204.0
[M+K]+ 421.15243 194.9
[M+H-H2O]+ 365.18653 184.6
[M+HCOO]- 427.18747 207.1
[M+CH3COO]- 441.20312 220.7
[M+Na-2H]- 403.16394 194.3
[M]+ 382.18872 196.8
[M]- 382.18982 196.8
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

patents stripe