CID 207525

6-isopropyl-5,7,12,13-tetrahydro-6h-dibenz(c,g)azonine maleate

Structural Information

Molecular Formula
C19H23N
SMILES
CC(C)N1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C19H23N/c1-15(2)20-13-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)14-20/h3-10,15H,11-14H2,1-2H3
InChIKey
SMUXDYYZAMXFQY-UHFFFAOYSA-N
Compound name
6-propan-2-yl-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19032 193.0
[M+Na]+ 288.17226 191.3
[M-H]- 264.17576 191.5
[M+NH4]+ 283.21686 191.8
[M+K]+ 304.14620 190.9
[M+H-H2O]+ 248.18030 183.1
[M+HCOO]- 310.18124 192.5
[M+CH3COO]- 324.19689 193.2
[M+Na-2H]- 286.15771 194.2
[M]+ 265.18249 192.0
[M]- 265.18359 192.0
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.