CID 41891

56464-20-1

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCN1C(=C(C(=C1C2=CC=CC=C2)N)C(=O)C)C
InChI
InChI=1S/C15H18N2O/c1-4-17-10(2)13(11(3)18)14(16)15(17)12-8-6-5-7-9-12/h5-9H,4,16H2,1-3H3
InChIKey
CTUFIXJQAWGDQP-UHFFFAOYSA-N
Compound name
1-(4-amino-1-ethyl-2-methyl-5-phenylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

242.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.6
[M+Na]+ 265.13112 165.6
[M-H]- 241.13462 162.6
[M+NH4]+ 260.17572 174.8
[M+K]+ 281.10506 161.6
[M+H-H2O]+ 225.13916 149.4
[M+HCOO]- 287.14010 180.0
[M+CH3COO]- 301.15575 198.5
[M+Na-2H]- 263.11657 157.1
[M]+ 242.14135 157.4
[M]- 242.14245 157.4
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

patents stripe