CID 16642557

1-(pyridine-3-carbonyl)-2,3-dihydro-1h-indol-5-amine

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1CN(C2=C1C=C(C=C2)N)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H13N3O/c15-12-3-4-13-10(8-12)5-7-17(13)14(18)11-2-1-6-16-9-11/h1-4,6,8-9H,5,7,15H2
InChIKey
YEFBINZXOMLZTB-UHFFFAOYSA-N
Compound name
(5-amino-2,3-dihydroindol-1-yl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.3
[M+Na]+ 262.09509 161.2
[M-H]- 238.09859 158.0
[M+NH4]+ 257.13969 170.3
[M+K]+ 278.06903 156.7
[M+H-H2O]+ 222.10313 144.7
[M+HCOO]- 284.10407 174.1
[M+CH3COO]- 298.11972 165.1
[M+Na-2H]- 260.08054 157.6
[M]+ 239.10532 150.7
[M]- 239.10642 150.7
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.