CID 135506202

Brn 0654072

Structural Information

Molecular Formula
C16H17N3
SMILES
CC(C)N=C1NC2=CC=CC=C2C3=CC=CC=C3N1
InChI
InChI=1S/C16H17N3/c1-11(2)17-16-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)19-16/h3-11H,1-2H3,(H2,17,18,19)
InChIKey
MWLQLVLWLPJOAZ-UHFFFAOYSA-N
Compound name
N-propan-2-yl-5,7-dihydrobenzo[d][1,3]benzodiazepin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 157.2
[M+Na]+ 274.13146 168.7
[M+NH4]+ 269.17606 165.0
[M+K]+ 290.10540 162.5
[M-H]- 250.13496 159.7
[M+Na-2H]- 272.11691 163.2
[M]+ 251.14169 159.5
[M]- 251.14279 159.5
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.