CID 511599

4-[2-imidazol-1-yl-2-(1-methylpyrrol-3-yl)ethyl]aniline

Structural Information

Molecular Formula
C16H18N4
SMILES
CN1C=CC(=C1)C(CC2=CC=C(C=C2)N)N3C=CN=C3
InChI
InChI=1S/C16H18N4/c1-19-8-6-14(11-19)16(20-9-7-18-12-20)10-13-2-4-15(17)5-3-13/h2-9,11-12,16H,10,17H2,1H3
InChIKey
HVGFQGZBYCZZHK-UHFFFAOYSA-N
Compound name
4-[2-imidazol-1-yl-2-(1-methylpyrrol-3-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 160.5
[M+Na]+ 289.14236 169.0
[M-H]- 265.14586 167.1
[M+NH4]+ 284.18696 175.9
[M+K]+ 305.11630 164.1
[M+H-H2O]+ 249.15040 150.6
[M+HCOO]- 311.15134 184.1
[M+CH3COO]- 325.16699 172.5
[M+Na-2H]- 287.12781 162.5
[M]+ 266.15259 161.0
[M]- 266.15369 161.0
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.