CID 13196562

4h,6h-pyrrolo(1,2-a)(4,1)benzoxazepine-1-methanamine, n,n-dimethyl-

Structural Information

Molecular Formula
C15H18N2O
SMILES
CN(C)CC1=CC=C2N1C3=CC=CC=C3COC2
InChI
InChI=1S/C15H18N2O/c1-16(2)9-13-7-8-14-11-18-10-12-5-3-4-6-15(12)17(13)14/h3-8H,9-11H2,1-2H3
InChIKey
UTIJXJZZACNXCI-UHFFFAOYSA-N
Compound name
1-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-1-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.6
[M+Na]+ 265.13112 166.4
[M+NH4]+ 260.17572 164.3
[M+K]+ 281.10506 162.6
[M-H]- 241.13462 160.0
[M+Na-2H]- 263.11657 160.6
[M]+ 242.14135 158.5
[M]- 242.14245 158.5
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.