CID 368828

Nsc640118

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CN1C=C(C=C1C(=O)NCCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H16N4O3/c1-12(2)5-4-11-10(15)9-6-8(14(16)17)7-13(9)3/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKey
AWEJRZRNZDXEOX-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1-methyl-4-nitropyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 152.8
[M+Na]+ 263.11146 158.4
[M-H]- 239.11496 156.8
[M+NH4]+ 258.15606 170.1
[M+K]+ 279.08540 154.3
[M+H-H2O]+ 223.11950 149.8
[M+HCOO]- 285.12044 179.4
[M+CH3COO]- 299.13609 194.8
[M+Na-2H]- 261.09691 157.3
[M]+ 240.12169 153.1
[M]- 240.12279 153.1
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.