CID 17929

Me7agd1roq

Structural Information

Molecular Formula
C16H17N3
SMILES
CN1CCN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10,17H2,1H3
InChIKey
AZPXGSJVAWOCMO-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.14224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 158.9
[M+Na]+ 274.131458 166.2
[M-H]- 250.134964 164.7
[M+NH4]+ 269.176063 173.2
[M+K]+ 290.105398 165.3
[M+H-H2O]+ 234.139500 150.4
[M+HCOO]- 296.140441 178.3
[M+CH3COO]- 310.156091 169.9
[M+Na-2H]- 272.116906 165.0
[M]+ 251.14169142 153.8
[M]- 251.14278858 153.8
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