CID 135964556

Chembl561195

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=CC=CN4
InChI
InChI=1S/C16H14N4O2/c1-10-5-14(20-18-8-11-3-2-4-17-11)12-6-15-16(22-9-21-15)7-13(12)19-10/h2-8,17H,9H2,1H3,(H,19,20)/b18-8+
InChIKey
GABRYIOYZLXRQB-QGMBQPNBSA-N
Compound name
6-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.11166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 163.6
[M+Na]+ 317.10088 173.4
[M-H]- 293.10438 171.9
[M+NH4]+ 312.14548 178.8
[M+K]+ 333.07482 170.2
[M+H-H2O]+ 277.10892 155.7
[M+HCOO]- 339.10986 186.6
[M+CH3COO]- 353.12551 176.2
[M+Na-2H]- 315.08633 170.7
[M]+ 294.11111 166.9
[M]- 294.11221 166.9
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.