CID 42487

Acrylylprocaine amid

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C=C
InChI
InChI=1S/C16H23N3O2/c1-4-15(20)18-14-9-7-13(8-10-14)16(21)17-11-12-19(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,21)(H,18,20)
InChIKey
PBUTWUPNYJDNBD-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-(prop-2-enoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 171.8
[M+Na]+ 312.16824 175.0
[M-H]- 288.17174 175.9
[M+NH4]+ 307.21284 186.9
[M+K]+ 328.14218 173.1
[M+H-H2O]+ 272.17628 163.5
[M+HCOO]- 334.17722 196.6
[M+CH3COO]- 348.19287 213.9
[M+Na-2H]- 310.15369 173.2
[M]+ 289.17847 172.9
[M]- 289.17957 172.9
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.