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 153.4
[M+Na]+ 265.13112 160.2
[M-H]- 241.13462 160.7
[M+NH4]+ 260.17572 171.7
[M+K]+ 281.10506 161.6
[M+H-H2O]+ 225.13916 147.1
[M+HCOO]- 287.14010 174.0
[M+CH3COO]- 301.15575 165.8
[M+Na-2H]- 263.11657 159.5
[M]+ 242.14135 153.0
[M]- 242.14245 153.0
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.