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
3
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]+ 265.129526 158.2
[M+Na]+ 287.111468 165.4
[M-H]- 263.114974 161.7
[M+NH4]+ 282.156073 175.6
[M+K]+ 303.085408 163.7
[M+H-H2O]+ 247.119510 151.3
[M+HCOO]- 309.120451 181.0
[M+CH3COO]- 323.136101 205.4
[M+Na-2H]- 285.096916 160.0
[M]+ 264.12170142 157.7
[M]- 264.12279858 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

literature stripe

Patent stripe

patents stripe