CID 2954

Dapi

Structural Information

Molecular Formula
C16H15N5
SMILES
C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKey
FWBHETKCLVMNFS-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3499
References

22292
Patents

277.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 163.9
[M+Na]+ 300.12197 174.1
[M+NH4]+ 295.16657 170.8
[M+K]+ 316.09591 170.3
[M-H]- 276.12547 168.8
[M+Na-2H]- 298.10742 170.6
[M]+ 277.13220 166.3
[M]- 277.13330 166.3
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