CID 218591

40889-50-7

Structural Information

Molecular Formula
C11H11IN4O2
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1CC(=O)NN
InChI
InChI=1S/C11H11IN4O2/c1-6-14-9-3-2-7(12)4-8(9)11(18)16(6)5-10(17)15-13/h2-4H,5,13H2,1H3,(H,15,17)
InChIKey
RHZFCWWJDXPKLA-UHFFFAOYSA-N
Compound name
2-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.99268 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99996 163.3
[M+Na]+ 380.98190 165.9
[M-H]- 356.98540 158.6
[M+NH4]+ 376.02650 173.8
[M+K]+ 396.95584 168.1
[M+H-H2O]+ 340.98994 151.8
[M+HCOO]- 402.99088 180.2
[M+CH3COO]- 417.00653 207.4
[M+Na-2H]- 378.96735 157.1
[M]+ 357.99213 161.0
[M]- 357.99323 161.0
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.