CID 12490983

1-benzyl-6-chloro-1h-pyrrolo[3,2-c]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C15H10ClN3
SMILES
C1=CC=C(C=C1)CN2C=CC3=CN=C(C(=C32)C#N)Cl
InChI
InChI=1S/C15H10ClN3/c16-15-13(8-17)14-12(9-18-15)6-7-19(14)10-11-4-2-1-3-5-11/h1-7,9H,10H2
InChIKey
DTKSRKOUFBQKSN-UHFFFAOYSA-N
Compound name
1-benzyl-6-chloropyrrolo[3,2-c]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06362 162.2
[M+Na]+ 290.04556 176.3
[M-H]- 266.04906 165.5
[M+NH4]+ 285.09016 177.7
[M+K]+ 306.01950 166.6
[M+H-H2O]+ 250.05360 147.0
[M+HCOO]- 312.05454 177.1
[M+CH3COO]- 326.07019 173.1
[M+Na-2H]- 288.03101 166.9
[M]+ 267.05579 160.7
[M]- 267.05689 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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