CID 353269

Nsc600951

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC(C)C1=CC2C3C(C1C4C2C(=O)NC4=O)C5C3C(=O)NC5=O
InChI
InChI=1S/C17H18N2O4/c1-4(2)5-3-6-8-10(13-12(8)16(22)19-17(13)23)7(5)11-9(6)14(20)18-15(11)21/h3-4,6-13H,1-2H3,(H,18,20,21)(H,19,22,23)
InChIKey
LNOGRLZXKIGLHH-UHFFFAOYSA-N
Compound name
15-propan-2-yl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 178.1
[M+Na]+ 337.11587 182.4
[M-H]- 313.11937 176.6
[M+NH4]+ 332.16047 191.5
[M+K]+ 353.08981 180.3
[M+H-H2O]+ 297.12391 169.1
[M+HCOO]- 359.12485 181.2
[M+CH3COO]- 373.14050 185.1
[M+Na-2H]- 335.10132 175.4
[M]+ 314.12610 186.2
[M]- 314.12720 186.2
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.