CID 58364964

1312755-70-6

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CN(C)CC1=CNC2=NC=CC(=C12)Cl
InChI
InChI=1S/C10H12ClN3/c1-14(2)6-7-5-13-10-9(7)8(11)3-4-12-10/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
GFOOQXSCKVFZGR-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

209.07198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07926 143.6
[M+Na]+ 232.06120 154.5
[M-H]- 208.06470 146.1
[M+NH4]+ 227.10580 163.7
[M+K]+ 248.03514 149.8
[M+H-H2O]+ 192.06924 136.8
[M+HCOO]- 254.07018 162.7
[M+CH3COO]- 268.08583 157.1
[M+Na-2H]- 230.04665 150.1
[M]+ 209.07143 147.3
[M]- 209.07253 147.3
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

patents stripe