CID 9547939

2-(3-methylphenyl)-1h-indole-5-carboximidamide

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=CC(=CC=C1)C2=CC3=C(N2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18)
InChIKey
KJUSXMYSVXZFDJ-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.1266 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.133876 156.1
[M+Na]+ 272.115818 164.9
[M-H]- 248.119324 161.7
[M+NH4]+ 267.160423 173.5
[M+K]+ 288.089758 158.2
[M+H-H2O]+ 232.123860 148.6
[M+HCOO]- 294.124801 179.7
[M+CH3COO]- 308.140451 168.2
[M+Na-2H]- 270.101266 160.8
[M]+ 249.12605142 153.3
[M]- 249.12714858 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe