CID 495942

Nsc674030

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)O
InChI
InChI=1S/C17H18N2O3/c1-18-14-7-3-2-5-11(14)12-8-9-19-16(15(12)18)13(17(20)21)6-4-10-22-19/h2-7,13,16H,8-10H2,1H3,(H,20,21)
InChIKey
DBJZOAREOSCFFY-UHFFFAOYSA-N
Compound name
18-methyl-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 166.2
[M+Na]+ 321.12096 174.5
[M-H]- 297.12446 171.1
[M+NH4]+ 316.16556 181.1
[M+K]+ 337.09490 173.9
[M+H-H2O]+ 281.12900 159.6
[M+HCOO]- 343.12994 179.9
[M+CH3COO]- 357.14559 176.8
[M+Na-2H]- 319.10641 170.2
[M]+ 298.13119 164.5
[M]- 298.13229 164.5
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.