CID 3078582

3h-imidazo(2,1-b)(3)benzazepine, 2,5,6,11-tetrahydro-, sulfate (1:1)

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CN2CCN=C2CC3=CC=CC=C31
InChI
InChI=1S/C12H14N2/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1/h1-4H,5-9H2
InChIKey
DWIKKRTTWAYFDC-UHFFFAOYSA-N
Compound name
3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.11569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 138.6
[M+Na]+ 209.10491 145.5
[M-H]- 185.10841 142.3
[M+NH4]+ 204.14951 158.3
[M+K]+ 225.07885 144.5
[M+H-H2O]+ 169.11295 131.6
[M+HCOO]- 231.11389 156.8
[M+CH3COO]- 245.12954 150.7
[M+Na-2H]- 207.09036 145.3
[M]+ 186.11514 133.6
[M]- 186.11624 133.6
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

patents stripe