CID 135463983

Brn 4819953

Structural Information

Molecular Formula
C19H17N5
SMILES
C1CC1N=C2CC3=NN=C(N3C4=CC=CC=C4N2)C5=CC=CC=C5
InChI
InChI=1S/C19H17N5/c1-2-6-13(7-3-1)19-23-22-18-12-17(20-14-10-11-14)21-15-8-4-5-9-16(15)24(18)19/h1-9,14H,10-12H2,(H,20,21)
InChIKey
GCRUKSAVKKWEKQ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1-phenyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.155676 180.9
[M+Na]+ 338.137618 190.4
[M-H]- 314.141124 188.3
[M+NH4]+ 333.182223 188.1
[M+K]+ 354.111558 185.3
[M+H-H2O]+ 298.145660 169.8
[M+HCOO]- 360.146601 198.4
[M+CH3COO]- 374.162251 189.6
[M+Na-2H]- 336.123066 185.2
[M]+ 315.14785142 178.1
[M]- 315.14894858 178.1
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.