CID 3041589

54436-10-1

Structural Information

Molecular Formula
C21H31N3O3
SMILES
CCCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN(CC)CC)C
InChI
InChI=1S/C21H31N3O3/c1-5-12-26-21(25)19-15(4)22-17-8-9-18-16(20(17)19)13-24(14-27-18)11-10-23(6-2)7-3/h8-9,22H,5-7,10-14H2,1-4H3
InChIKey
SASQABACYYPTGE-UHFFFAOYSA-N
Compound name
propyl 2-[2-(diethylamino)ethyl]-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.23654 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24382 193.2
[M+Na]+ 396.22576 203.7
[M+NH4]+ 391.27036 199.1
[M+K]+ 412.19970 199.4
[M-H]- 372.22926 195.4
[M+Na-2H]- 394.21121 194.0
[M]+ 373.23599 195.1
[M]- 373.23709 195.1
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.