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]+ 210.079256 143.6
[M+Na]+ 232.061198 154.5
[M-H]- 208.064704 146.1
[M+NH4]+ 227.105803 163.7
[M+K]+ 248.035138 149.8
[M+H-H2O]+ 192.069240 136.8
[M+HCOO]- 254.070181 162.7
[M+CH3COO]- 268.085831 157.1
[M+Na-2H]- 230.046646 150.1
[M]+ 209.07143142 147.3
[M]- 209.07252858 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