CID 13012177

2-amino-1-phenyl-4,5,6,7-tetrahydro-1h-indole-3-carbonitrile

Structural Information

Molecular Formula
C15H15N3
SMILES
C1CCC2=C(C1)C(=C(N2C3=CC=CC=C3)N)C#N
InChI
InChI=1S/C15H15N3/c16-10-13-12-8-4-5-9-14(12)18(15(13)17)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9,17H2
InChIKey
KUEYFNWTDKAKGP-UHFFFAOYSA-N
Compound name
2-amino-1-phenyl-4,5,6,7-tetrahydroindole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

237.1266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 157.7
[M+Na]+ 260.11582 167.8
[M-H]- 236.11932 161.8
[M+NH4]+ 255.16042 174.2
[M+K]+ 276.08976 159.9
[M+H-H2O]+ 220.12386 143.4
[M+HCOO]- 282.12480 174.9
[M+CH3COO]- 296.14045 167.9
[M+Na-2H]- 258.10127 160.2
[M]+ 237.12605 148.8
[M]- 237.12715 148.8
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