CID 370799

Nsc644321

Structural Information

Molecular Formula
C17H19N3
SMILES
CC(C)(C)N=CN1CC2=CC3=CC=CC=C3N=C2C=C1
InChI
InChI=1S/C17H19N3/c1-17(2,3)18-12-20-9-8-16-14(11-20)10-13-6-4-5-7-15(13)19-16/h4-10,12H,11H2,1-3H3
InChIKey
GXZBPILOHKUPCE-UHFFFAOYSA-N
Compound name
1-(1H-benzo[b][1,6]naphthyridin-2-yl)-N-tert-butylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 164.7
[M+Na]+ 288.14712 172.7
[M-H]- 264.15062 168.3
[M+NH4]+ 283.19172 181.3
[M+K]+ 304.12106 167.7
[M+H-H2O]+ 248.15516 155.7
[M+HCOO]- 310.15610 183.2
[M+CH3COO]- 324.17175 175.9
[M+Na-2H]- 286.13257 174.1
[M]+ 265.15735 164.9
[M]- 265.15845 164.9
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.