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]+ 192.149516 141.1
[M+Na]+ 214.131458 147.8
[M-H]- 190.134964 143.8
[M+NH4]+ 209.176063 158.1
[M+K]+ 230.105398 148.9
[M+H-H2O]+ 174.139500 133.7
[M+HCOO]- 236.140441 159.3
[M+CH3COO]- 250.156091 152.7
[M+Na-2H]- 212.116906 146.5
[M]+ 191.14169142 135.3
[M]- 191.14278858 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.