CID 24845239

102131-90-8

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNCC2=CC=CC=C2O)C
InChI
InChI=1S/C18H27N3O2/c1-17(2)11-14(18(3,4)21-17)16(23)20-10-9-19-12-13-7-5-6-8-15(13)22/h5-8,11,19,21-22H,9-10,12H2,1-4H3,(H,20,23)
InChIKey
YMXYGMCPLBITHQ-UHFFFAOYSA-N
Compound name
N-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.21033 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 174.8
[M+Na]+ 340.19955 180.7
[M-H]- 316.20305 177.8
[M+NH4]+ 335.24415 192.1
[M+K]+ 356.17349 176.1
[M+H-H2O]+ 300.20759 168.5
[M+HCOO]- 362.20853 194.7
[M+CH3COO]- 376.22418 208.2
[M+Na-2H]- 338.18500 177.1
[M]+ 317.20978 173.6
[M]- 317.21088 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.