CID 210740

Imidazole di-isopropylcarboxylhydrazide

Structural Information

Molecular Formula
C12H18N6O2
SMILES
CC(=NNC(=O)C1=C(N(C=N1)C)C(=O)NN=C(C)C)C
InChI
InChI=1S/C12H18N6O2/c1-7(2)14-16-11(19)9-10(18(5)6-13-9)12(20)17-15-8(3)4/h6H,1-5H3,(H,16,19)(H,17,20)
InChIKey
RSERAWPWVPIPQF-UHFFFAOYSA-N
Compound name
1-methyl-4-N,5-N-bis(propan-2-ylideneamino)imidazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1491 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15638 166.5
[M+Na]+ 301.13832 171.8
[M-H]- 277.14182 170.8
[M+NH4]+ 296.18292 181.8
[M+K]+ 317.11226 171.8
[M+H-H2O]+ 261.14636 157.3
[M+HCOO]- 323.14730 192.5
[M+CH3COO]- 337.16295 214.9
[M+Na-2H]- 299.12377 167.4
[M]+ 278.14855 167.9
[M]- 278.14965 167.9
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.