CID 39814

50836-11-8

Structural Information

Molecular Formula
C16H23N3O5
SMILES
CCN(CC)CCNC(=O)CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C16H23N3O5/c1-4-18(5-2)9-8-17-15(20)11-16(3)23-13-7-6-12(19(21)22)10-14(13)24-16/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,20)
InChIKey
QMFWKFVBWQSQEE-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.16376 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.171036 180.0
[M+Na]+ 360.152978 183.8
[M-H]- 336.156484 186.3
[M+NH4]+ 355.197583 194.6
[M+K]+ 376.126918 180.9
[M+H-H2O]+ 320.161020 177.9
[M+HCOO]- 382.161961 202.4
[M+CH3COO]- 396.177611 212.3
[M+Na-2H]- 358.138426 186.7
[M]+ 337.16321142 183.8
[M]- 337.16430858 183.8
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.