CID 765471

309726-06-5

Structural Information

Molecular Formula
C16H17N3
SMILES
CC1=CC(=C2C(=C1)C(=C3C(=CC(=NC3=N2)C)C)N)C
InChI
InChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKey
ZNPSDSMZKLWRLO-UHFFFAOYSA-N
Compound name
2,4,7,9-tetramethylbenzo[b][1,8]naphthyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

16
Patents

251.14224 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 160.8
[M+Na]+ 274.131458 173.8
[M-H]- 250.134964 164.6
[M+NH4]+ 269.176063 178.3
[M+K]+ 290.105398 167.6
[M+H-H2O]+ 234.139500 152.7
[M+HCOO]- 296.140441 181.6
[M+CH3COO]- 310.156091 173.6
[M+Na-2H]- 272.116906 167.4
[M]+ 251.14169142 163.7
[M]- 251.14278858 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe