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]+ 318.217606 174.8
[M+Na]+ 340.199548 180.7
[M-H]- 316.203054 177.8
[M+NH4]+ 335.244153 192.1
[M+K]+ 356.173488 176.1
[M+H-H2O]+ 300.207590 168.5
[M+HCOO]- 362.208531 194.7
[M+CH3COO]- 376.224181 208.2
[M+Na-2H]- 338.184996 177.1
[M]+ 317.20978142 173.6
[M]- 317.21087858 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.