CID 90658108

Fumiquinazoline f-indoline-2',3'-diol

Structural Information

Molecular Formula
C21H20N4O4
SMILES
C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@]4(C(NC5=CC=CC=C54)O)O
InChI
InChI=1S/C21H20N4O4/c1-11-17-23-14-8-4-2-6-12(14)19(27)25(17)16(18(26)22-11)10-21(29)13-7-3-5-9-15(13)24-20(21)28/h2-9,11,16,20,24,28-29H,10H2,1H3,(H,22,26)/t11-,16+,20?,21-/m0/s1
InChIKey
WNVGXEJNTOQSAG-LQOZCNPYSA-N
Compound name
(1S,4R)-4-[[(3S)-2,3-dihydroxy-1,2-dihydroindol-3-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

392.14847 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 196.0
[M+Na]+ 415.13769 205.6
[M-H]- 391.14119 195.8
[M+NH4]+ 410.18229 205.9
[M+K]+ 431.11163 196.9
[M+H-H2O]+ 375.14573 186.1
[M+HCOO]- 437.14667 202.8
[M+CH3COO]- 451.16232 202.7
[M+Na-2H]- 413.12314 197.6
[M]+ 392.14792 192.7
[M]- 392.14902 192.7
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

No patent data available for this compound.