CID 163409019

Glutamate-5-kinase-in-1

Structural Information

Molecular Formula
C20H18N2O
SMILES
COC1=CC2=NC(=C3C(=C2C=C1)C=CN3)CCC4=CC=CC=C4
InChI
InChI=1S/C20H18N2O/c1-23-15-8-9-16-17-11-12-21-20(17)18(22-19(16)13-15)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,21H,7,10H2,1H3
InChIKey
XHZNSPQWRDWFGH-UHFFFAOYSA-N
Compound name
7-methoxy-4-(2-phenylethyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 171.6
[M+Na]+ 325.13112 181.5
[M-H]- 301.13462 176.7
[M+NH4]+ 320.17572 187.1
[M+K]+ 341.10506 174.0
[M+H-H2O]+ 285.13916 162.2
[M+HCOO]- 347.14010 191.6
[M+CH3COO]- 361.15575 182.9
[M+Na-2H]- 323.11657 177.8
[M]+ 302.14135 174.0
[M]- 302.14245 174.0
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.