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]+ 283.180496 168.3
[M+Na]+ 305.162438 172.7
[M-H]- 281.165944 174.4
[M+NH4]+ 300.207043 182.9
[M+K]+ 321.136378 167.0
[M+H-H2O]+ 265.170480 159.7
[M+HCOO]- 327.171421 186.2
[M+CH3COO]- 341.187071 178.0
[M+Na-2H]- 303.147886 166.7
[M]+ 282.17267142 161.0
[M]- 282.17376858 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.