CID 386991

Nsc680302

Structural Information

Molecular Formula
C24H33N5O6
SMILES
CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H33N5O6/c1-12-10-19(30)29-18-11-16(8-9-17(12)18)28-22(33)14(3)26-20(31)13(2)25-21(32)15(4)27-23(34)35-24(5,6)7/h8-11,13-15H,1-7H3,(H,25,32)(H,26,31)(H,27,34)(H,28,33)(H,29,30)
InChIKey
OMELCXXTIBQUEY-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[[1-[[1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.24307 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.25035 214.9
[M+Na]+ 510.23229 215.0
[M-H]- 486.23579 215.9
[M+NH4]+ 505.27689 219.6
[M+K]+ 526.20623 215.6
[M+H-H2O]+ 470.24033 206.7
[M+HCOO]- 532.24127 229.1
[M+CH3COO]- 546.25692 250.9
[M+Na-2H]- 508.21774 212.5
[M]+ 487.24252 215.6
[M]- 487.24362 215.6
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.