CID 494287

[(4-hydroxy-n-methyl-anilino)-methoxy-methyl-dioxo-[?]yl]methyl carbamate

Structural Information

Molecular Formula
C22H24N4O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N(C)C5=CC=C(C=C5)O
InChI
InChI=1S/C22H24N4O6/c1-10-16(25(2)11-4-6-12(27)7-5-11)19(29)15-13(9-32-21(23)30)22(31-3)20-14(24-20)8-26(22)17(15)18(10)28/h4-7,13-14,20,24,27H,8-9H2,1-3H3,(H2,23,30)
InChIKey
OBDMKDAAJDBIET-UHFFFAOYSA-N
Compound name
[11-(4-hydroxy-N-methylanilino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1696 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.17688 201.0
[M+Na]+ 463.15882 210.4
[M-H]- 439.16232 207.0
[M+NH4]+ 458.20342 210.3
[M+K]+ 479.13276 204.5
[M+H-H2O]+ 423.16686 196.7
[M+HCOO]- 485.16780 214.5
[M+CH3COO]- 499.18345 237.8
[M+Na-2H]- 461.14427 199.2
[M]+ 440.16905 207.5
[M]- 440.17015 207.5
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

No patent data available for this compound.