CID 121337

2,7-diamino-1-hydroxymitosene

Structural Information

Molecular Formula
C14H16N4O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)N)N
InChI
InChI=1S/C14H16N4O5/c1-4-8(16)13(21)7-5(3-23-14(17)22)9-12(20)6(15)2-18(9)10(7)11(4)19/h6,12,20H,2-3,15-16H2,1H3,(H2,17,22)
InChIKey
XNHZZRIKMUCTHU-UHFFFAOYSA-N
Compound name
(2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.11206 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11934 170.9
[M+Na]+ 343.10128 176.5
[M+NH4]+ 338.14588 175.0
[M+K]+ 359.07522 178.9
[M-H]- 319.10478 170.1
[M+Na-2H]- 341.08673 167.9
[M]+ 320.11151 170.6
[M]- 320.11261 170.6
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