CID 71758081

1,4-dimethyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-8-amine

Structural Information

Molecular Formula
C11H17N3
SMILES
CN1CCN(C2=C(C1)C=CC(=C2)N)C
InChI
InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-10(12)4-3-9(11)8-13/h3-4,7H,5-6,8,12H2,1-2H3
InChIKey
LIDJRDIFECEBQM-UHFFFAOYSA-N
Compound name
1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 141.1
[M+Na]+ 214.13146 147.8
[M-H]- 190.13496 143.8
[M+NH4]+ 209.17606 158.1
[M+K]+ 230.10540 148.9
[M+H-H2O]+ 174.13950 133.7
[M+HCOO]- 236.14044 159.3
[M+CH3COO]- 250.15609 152.7
[M+Na-2H]- 212.11691 146.5
[M]+ 191.14169 135.3
[M]- 191.14279 135.3
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.