CID 370796

Nsc644318

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC(C)(COC)N=CN1CC2=CC3=CC=CC=C3N=C2C1
InChI
InChI=1S/C17H21N3O/c1-17(2,11-21-3)18-12-20-9-14-8-13-6-4-5-7-15(13)19-16(14)10-20/h4-8,12H,9-11H2,1-3H3
InChIKey
JYKILSRSBGVXKE-UHFFFAOYSA-N
Compound name
1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-N-(1-methoxy-2-methylpropan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 169.4
[M+Na]+ 306.15768 177.0
[M-H]- 282.16118 173.0
[M+NH4]+ 301.20228 187.0
[M+K]+ 322.13162 172.9
[M+H-H2O]+ 266.16572 160.9
[M+HCOO]- 328.16666 188.9
[M+CH3COO]- 342.18231 206.6
[M+Na-2H]- 304.14313 175.9
[M]+ 283.16791 171.9
[M]- 283.16901 171.9
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.