CID 5837117

Nsc150902

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1CC(N/C(=C/C(=O)N2CC3=CC4=CC=CC=C4N=C3C2)/O1)(C)C
InChI
InChI=1S/C20H23N3O2/c1-13-10-20(2,3)22-18(25-13)9-19(24)23-11-15-8-14-6-4-5-7-16(14)21-17(15)12-23/h4-9,13,22H,10-12H2,1-3H3/b18-9-
InChIKey
SXNNSBVPIXLLOE-NVMNQCDNSA-N
Compound name
(2Z)-1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 184.2
[M+Na]+ 360.16824 191.5
[M-H]- 336.17174 187.4
[M+NH4]+ 355.21284 197.4
[M+K]+ 376.14218 186.0
[M+H-H2O]+ 320.17628 174.5
[M+HCOO]- 382.17722 194.3
[M+CH3COO]- 396.19287 192.7
[M+Na-2H]- 358.15369 184.8
[M]+ 337.17847 180.7
[M]- 337.17957 180.7
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.