CID 13012172

2-amino-4,5-dimethyl-1-phenyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C13H13N3
SMILES
CC1=C(N(C(=C1C#N)N)C2=CC=CC=C2)C
InChI
InChI=1S/C13H13N3/c1-9-10(2)16(13(15)12(9)8-14)11-6-4-3-5-7-11/h3-7H,15H2,1-2H3
InChIKey
FGDJNHMAJYGPOM-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethyl-1-phenylpyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 150.3
[M+Na]+ 234.10017 161.9
[M-H]- 210.10367 154.8
[M+NH4]+ 229.14477 167.5
[M+K]+ 250.07411 156.5
[M+H-H2O]+ 194.10821 136.4
[M+HCOO]- 256.10915 170.8
[M+CH3COO]- 270.12480 202.7
[M+Na-2H]- 232.08562 152.4
[M]+ 211.11040 144.8
[M]- 211.11150 144.8
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

No patent data available for this compound.