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]+ 241.129516 152.8
[M+Na]+ 263.111458 158.4
[M-H]- 239.114964 156.8
[M+NH4]+ 258.156063 170.1
[M+K]+ 279.085398 154.3
[M+H-H2O]+ 223.119500 149.8
[M+HCOO]- 285.120441 179.4
[M+CH3COO]- 299.136091 194.8
[M+Na-2H]- 261.096906 157.3
[M]+ 240.12169142 153.1
[M]- 240.12278858 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.