CID 10309114

Pf-4878691

Structural Information

Molecular Formula
C17H23N5O2S
SMILES
CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
InChIKey
YZOQZEXYFLXNKA-UHFFFAOYSA-N
Compound name
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

802
Patents

361.15726 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16454 185.7
[M+Na]+ 384.14648 196.0
[M-H]- 360.14998 187.5
[M+NH4]+ 379.19108 198.7
[M+K]+ 400.12042 189.6
[M+H-H2O]+ 344.15452 177.9
[M+HCOO]- 406.15546 200.9
[M+CH3COO]- 420.17111 219.0
[M+Na-2H]- 382.13193 190.3
[M]+ 361.15671 192.2
[M]- 361.15781 192.2
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