CID 13002704

Rolgamidina

Structural Information

Molecular Formula
C9H16N4O
SMILES
CC1C=CC(N1CC(=O)N=C(N)N)C
InChI
InChI=1S/C9H16N4O/c1-6-3-4-7(2)13(6)5-8(14)12-9(10)11/h3-4,6-7H,5H2,1-2H3,(H4,10,11,12,14)
InChIKey
QHMGFQBUOCYLDT-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.13242 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 145.6
[M+Na]+ 219.12164 151.7
[M-H]- 195.12514 148.6
[M+NH4]+ 214.16624 164.9
[M+K]+ 235.09558 150.6
[M+H-H2O]+ 179.12968 138.3
[M+HCOO]- 241.13062 170.0
[M+CH3COO]- 255.14627 193.6
[M+Na-2H]- 217.10709 146.1
[M]+ 196.13187 142.2
[M]- 196.13297 142.2
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

patents stripe