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

5
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 158.9
[M+Na]+ 274.13146 166.2
[M-H]- 250.13496 164.7
[M+NH4]+ 269.17606 173.2
[M+K]+ 290.10540 165.3
[M+H-H2O]+ 234.13950 150.4
[M+HCOO]- 296.14044 178.3
[M+CH3COO]- 310.15609 169.9
[M+Na-2H]- 272.11691 165.0
[M]+ 251.14169 153.8
[M]- 251.14279 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