CID 9547940

2-(2-methylphenyl)-1h-indole-6-carboximidamide

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=CC=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16(17)18)9-14(11)19-15/h2-9,19H,1H3,(H3,17,18)
InChIKey
ZRYXDGAKQGRHFG-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1H-indole-6-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]+ 250.13388 156.1
[M+Na]+ 272.11582 164.9
[M-H]- 248.11932 161.7
[M+NH4]+ 267.16042 173.5
[M+K]+ 288.08976 158.2
[M+H-H2O]+ 232.12386 148.6
[M+HCOO]- 294.12480 179.7
[M+CH3COO]- 308.14045 168.2
[M+Na-2H]- 270.10127 160.8
[M]+ 249.12605 153.3
[M]- 249.12715 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.