CID 96943

Girinimbine

Structural Information

Molecular Formula
C18H17NO
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42
InChI
InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
InChIKey
GAEQWKVGMHUUKO-UHFFFAOYSA-N
Compound name
3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

144
Patents

263.131 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 160.1
[M+Na]+ 286.12022 177.1
[M+NH4]+ 281.16482 172.2
[M+K]+ 302.09416 167.9
[M-H]- 262.12372 165.7
[M+Na-2H]- 284.10567 167.4
[M]+ 263.13045 164.7
[M]- 263.13155 164.7
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

patents stripe