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]+ 251.154276 157.8
[M+Na]+ 273.136218 165.0
[M-H]- 249.139724 159.0
[M+NH4]+ 268.180823 174.4
[M+K]+ 289.110158 158.0
[M+H-H2O]+ 233.144260 148.5
[M+HCOO]- 295.145201 170.3
[M+CH3COO]- 309.160851 167.6
[M+Na-2H]- 271.121666 165.1
[M]+ 250.14645142 152.4
[M]- 250.14754858 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.