CID 10379137

(2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+
InChIKey
UFQOXIMRSMFQRI-BQYQJAHWSA-N
Compound name
(E)-N-hydroxy-3-[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

45
Patents

284.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 166.2
[M+Na]+ 307.10532 172.5
[M-H]- 283.10882 170.5
[M+NH4]+ 302.14992 181.2
[M+K]+ 323.07926 168.3
[M+H-H2O]+ 267.11336 158.3
[M+HCOO]- 329.11430 188.2
[M+CH3COO]- 343.12995 199.4
[M+Na-2H]- 305.09077 167.0
[M]+ 284.11555 166.3
[M]- 284.11665 166.3
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

patents stripe