CID 3071170

2-aminomethylene-4-phenyl-1h-tetrahydro-6-azabenzo-1,5-diazepine

Structural Information

Molecular Formula
C15H18N4
SMILES
C1C(NC2=C(NC1C3=CC=CC=C3)N=CC=C2)CN
InChI
InChI=1S/C15H18N4/c16-10-12-9-14(11-5-2-1-3-6-11)19-15-13(18-12)7-4-8-17-15/h1-8,12,14,18H,9-10,16H2,(H,17,19)
InChIKey
BUBBGNOZCRNOFP-UHFFFAOYSA-N
Compound name
(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 160.5
[M+Na]+ 277.14237 165.7
[M-H]- 253.14587 161.8
[M+NH4]+ 272.18697 171.7
[M+K]+ 293.11631 163.3
[M+H-H2O]+ 237.15041 150.8
[M+HCOO]- 299.15135 174.7
[M+CH3COO]- 313.16700 169.0
[M+Na-2H]- 275.12782 166.1
[M]+ 254.15260 150.5
[M]- 254.15370 150.5
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.