CID 89289

20200-64-0

Structural Information

Molecular Formula
C19H17N3O5
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C)C
InChI
InChI=1S/C19H17N3O5/c1-18(2)14-6-4-5-7-15(14)20(3)19(18)9-8-12-10-13(21(23)24)11-16(22(25)26)17(12)27-19/h4-11H,1-3H3
InChIKey
WOHKZAFFWQFDQP-UHFFFAOYSA-N
Compound name
1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

367.11682 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 185.8
[M+Na]+ 390.10604 200.5
[M+NH4]+ 385.15064 196.1
[M+K]+ 406.07998 196.7
[M-H]- 366.10954 192.9
[M+Na-2H]- 388.09149 192.1
[M]+ 367.11627 190.1
[M]- 367.11737 190.1
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

patents stripe