CID 378815

Nsc662133

Structural Information

Molecular Formula
C23H23NO3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCCC5)OC
InChI
InChI=1S/C23H23NO3/c1-24-17-9-5-4-8-15(17)22(25)20-19(26-2)14-18-16(21(20)24)10-13-23(27-18)11-6-3-7-12-23/h4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3
InChIKey
QIJXGSALJLRUPX-UHFFFAOYSA-N
Compound name
6'-methoxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17508 186.2
[M+Na]+ 384.15702 195.9
[M-H]- 360.16052 193.7
[M+NH4]+ 379.20162 201.3
[M+K]+ 400.13096 190.8
[M+H-H2O]+ 344.16506 174.5
[M+HCOO]- 406.16600 200.1
[M+CH3COO]- 420.18165 196.3
[M+Na-2H]- 382.14247 193.2
[M]+ 361.16725 187.1
[M]- 361.16835 187.1
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.