CID 380617

Nsc666292

Structural Information

Molecular Formula
C18H16ClN5
SMILES
CC1=C(C(=C2C=C(C=CC2=N1)Cl)N3C=CN=C3)CCN4C=CN=C4
InChI
InChI=1S/C18H16ClN5/c1-13-15(4-7-23-8-5-20-11-23)18(24-9-6-21-12-24)16-10-14(19)2-3-17(16)22-13/h2-3,5-6,8-12H,4,7H2,1H3
InChIKey
FNILEGFYDPTHBA-UHFFFAOYSA-N
Compound name
6-chloro-4-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10944 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11672 179.5
[M+Na]+ 360.09866 192.0
[M-H]- 336.10216 184.7
[M+NH4]+ 355.14326 191.7
[M+K]+ 376.07260 183.7
[M+H-H2O]+ 320.10670 167.6
[M+HCOO]- 382.10764 194.7
[M+CH3COO]- 396.12329 190.3
[M+Na-2H]- 358.08411 181.3
[M]+ 337.10889 184.9
[M]- 337.10999 184.9
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.