CID 38472

Naphtho(2,1-b)(1,6)naphthyridine, 7,8,9,10,11,12-hexahydro-10-methyl-, hydrochloride

Structural Information

Molecular Formula
C17H18N2
SMILES
CN1CCC2=C(C1)CC3=C(N2)C=CC4=CC=CC=C34
InChI
InChI=1S/C17H18N2/c1-19-9-8-16-13(11-19)10-15-14-5-3-2-4-12(14)6-7-17(15)18-16/h2-7,18H,8-11H2,1H3
InChIKey
PUVRTNLHFKDPGK-UHFFFAOYSA-N
Compound name
10-methyl-8,9,11,12-tetrahydro-7H-naphtho[2,1-b][1,6]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 157.8
[M+Na]+ 273.13622 165.0
[M-H]- 249.13972 159.0
[M+NH4]+ 268.18082 174.4
[M+K]+ 289.11016 158.0
[M+H-H2O]+ 233.14426 148.5
[M+HCOO]- 295.14520 170.3
[M+CH3COO]- 309.16085 167.6
[M+Na-2H]- 271.12167 165.1
[M]+ 250.14645 152.4
[M]- 250.14755 152.4
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.