CID 21149680

Methanone, (4-amino-2-methyl-5-phenyl-1h-pyrrol-3-yl)cyclohexyl-, monohydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2)N)C(=O)C3CCCCC3
InChI
InChI=1S/C18H22N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2,4-5,8-9,14,20H,3,6-7,10-11,19H2,1H3
InChIKey
FEIKJMYNMKSZGF-UHFFFAOYSA-N
Compound name
(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-cyclohexylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.3
[M+Na]+ 305.16244 172.7
[M-H]- 281.16594 174.4
[M+NH4]+ 300.20704 182.9
[M+K]+ 321.13638 167.0
[M+H-H2O]+ 265.17048 159.7
[M+HCOO]- 327.17142 186.2
[M+CH3COO]- 341.18707 178.0
[M+Na-2H]- 303.14789 166.7
[M]+ 282.17267 161.0
[M]- 282.17377 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.