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 169.3
[M+Na]+ 343.10128 178.4
[M-H]- 319.10478 172.4
[M+NH4]+ 338.14588 186.4
[M+K]+ 359.07522 175.3
[M+H-H2O]+ 303.10932 164.4
[M+HCOO]- 365.11026 188.8
[M+CH3COO]- 379.12591 216.1
[M+Na-2H]- 341.08673 166.8
[M]+ 320.11151 168.5
[M]- 320.11261 168.5
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