CID 435806

Nsc379963

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)O
InChI
InChI=1S/C17H18N2O3/c1-18-8-10-19(11-9-18)16(20)13-6-2-4-12-5-3-7-14(15(12)13)17(21)22/h2-7H,8-11H2,1H3,(H,21,22)
InChIKey
GHKVSHCCNQCYIP-UHFFFAOYSA-N
Compound name
8-(4-methylpiperazine-1-carbonyl)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.4
[M+Na]+ 321.12096 175.0
[M-H]- 297.12446 172.2
[M+NH4]+ 316.16556 181.6
[M+K]+ 337.09490 170.7
[M+H-H2O]+ 281.12900 160.2
[M+HCOO]- 343.12994 182.9
[M+CH3COO]- 357.14559 202.0
[M+Na-2H]- 319.10641 171.2
[M]+ 298.13119 165.8
[M]- 298.13229 165.8
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.