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

15
Patents

237.1266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.133876 157.7
[M+Na]+ 260.115818 167.8
[M-H]- 236.119324 161.8
[M+NH4]+ 255.160423 174.2
[M+K]+ 276.089758 159.9
[M+H-H2O]+ 220.123860 143.4
[M+HCOO]- 282.124801 174.9
[M+CH3COO]- 296.140451 167.9
[M+Na-2H]- 258.101266 160.2
[M]+ 237.12605142 148.8
[M]- 237.12714858 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