CID 65594

Iprazochrome

Structural Information

Molecular Formula
C12H16N4O3
SMILES
CC(C)N1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O
InChI
InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,17-18H,5H2,1-2H3,(H2,13,19)
InChIKey
AIGVHODMVKGZDA-UHFFFAOYSA-N
Compound name
(3,6-dihydroxy-1-propan-2-yl-2,3-dihydroindol-5-yl)iminourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

401
Patents

264.12225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 158.2
[M+Na]+ 287.11147 165.4
[M-H]- 263.11497 161.7
[M+NH4]+ 282.15607 175.6
[M+K]+ 303.08541 163.7
[M+H-H2O]+ 247.11951 151.3
[M+HCOO]- 309.12045 181.0
[M+CH3COO]- 323.13610 205.4
[M+Na-2H]- 285.09692 160.0
[M]+ 264.12170 157.7
[M]- 264.12280 157.7
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.