CID 6433092

Eniporide

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2
InChI
InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
InChIKey
UADMBZFZZOBWBB-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

474
Patents

320.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 173.5
[M+Na]+ 343.08352 181.2
[M-H]- 319.08702 180.3
[M+NH4]+ 338.12812 188.1
[M+K]+ 359.05746 177.4
[M+H-H2O]+ 303.09156 165.7
[M+HCOO]- 365.09250 193.0
[M+CH3COO]- 379.10815 212.2
[M+Na-2H]- 341.06897 173.3
[M]+ 320.09375 174.5
[M]- 320.09485 174.5
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