CID 129009785

Nsc 325313

Structural Information

Molecular Formula
C17H22N4O5
SMILES
CCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4C)O)COC(=O)N)C
InChI
InChI=1S/C17H22N4O5/c1-4-19-11-7(2)13(22)12-10(14(11)23)8(6-26-16(18)24)17(25)15-9(20(15)3)5-21(12)17/h8-9,15,19,25H,4-6H2,1-3H3,(H2,18,24)/t8-,9+,15+,17-,20?/m1/s1
InChIKey
NRQVSGHYSATPKZ-SCHVZWQHSA-N
Compound name
[(4S,6S,7R,8S)-11-(ethylamino)-7-hydroxy-5,12-dimethyl-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

362.15903 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16631 185.7
[M+Na]+ 385.14825 197.0
[M-H]- 361.15175 188.9
[M+NH4]+ 380.19285 198.7
[M+K]+ 401.12219 190.2
[M+H-H2O]+ 345.15629 182.4
[M+HCOO]- 407.15723 200.1
[M+CH3COO]- 421.17288 224.3
[M+Na-2H]- 383.13370 184.8
[M]+ 362.15848 192.0
[M]- 362.15958 192.0
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.