CID 490042

2-imino-9-iodo-4,5-dimethyl-pyrano[3,2-c]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C15H10IN3O
SMILES
CC1=C(C(=N)OC2=C3C=C(C=CC3=NC(=C12)C)I)C#N
InChI
InChI=1S/C15H10IN3O/c1-7-11(6-17)15(18)20-14-10-5-9(16)3-4-12(10)19-8(2)13(7)14/h3-5,18H,1-2H3
InChIKey
YECUXIMQWZGRQI-UHFFFAOYSA-N
Compound name
2-imino-9-iodo-4,5-dimethylpyrano[3,2-c]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.98685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.99413 169.3
[M+Na]+ 397.97607 177.4
[M-H]- 373.97957 167.2
[M+NH4]+ 393.02067 179.6
[M+K]+ 413.95001 176.0
[M+H-H2O]+ 357.98411 152.3
[M+HCOO]- 419.98505 183.1
[M+CH3COO]- 434.00070 176.7
[M+Na-2H]- 395.96152 165.7
[M]+ 374.98630 165.3
[M]- 374.98740 165.3
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

No patent data available for this compound.