CID 52952003

Marinoquinoline b

Structural Information

Molecular Formula
C15H16N2
SMILES
CC(C)CC1=NC2=CC=CC=C2C3=C1NC=C3
InChI
InChI=1S/C15H16N2/c1-10(2)9-14-15-12(7-8-16-15)11-5-3-4-6-13(11)17-14/h3-8,10,16H,9H2,1-2H3
InChIKey
LEWFRNLLNXKYJJ-UHFFFAOYSA-N
Compound name
4-(2-methylpropyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

224.13135 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13863 151.5
[M+Na]+ 247.12057 161.4
[M-H]- 223.12407 153.5
[M+NH4]+ 242.16517 170.7
[M+K]+ 263.09451 155.6
[M+H-H2O]+ 207.12861 144.1
[M+HCOO]- 269.12955 170.9
[M+CH3COO]- 283.14520 163.9
[M+Na-2H]- 245.10602 157.8
[M]+ 224.13080 152.6
[M]- 224.13190 152.6
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