CID 3042813

1-tert-butyl-2-cyano-3-(3-quinolyl)guanidine

Structural Information

Molecular Formula
C15H17N5
SMILES
CC(C)(C)N=C(NC#N)NC1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C15H17N5/c1-15(2,3)20-14(18-10-16)19-12-8-11-6-4-5-7-13(11)17-9-12/h4-9H,1-3H3,(H2,18,19,20)
InChIKey
MQURPTKTYDZFKO-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-quinolin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

267.1484 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15568 171.3
[M+Na]+ 290.13762 181.3
[M+NH4]+ 285.18222 175.1
[M+K]+ 306.11156 171.4
[M-H]- 266.14112 167.0
[M+Na-2H]- 288.12307 174.7
[M]+ 267.14785 170.5
[M]- 267.14895 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe