CID 9576867

121496-63-7

Structural Information

Molecular Formula
C10H24N10
SMILES
C(CN=C(N/N=C/C=N/NC(=NCCCN)N)N)CN
InChI
InChI=1S/C10H24N10/c11-3-1-5-15-9(13)19-17-7-8-18-20-10(14)16-6-2-4-12/h7-8H,1-6,11-12H2,(H3,13,15,19)(H3,14,16,20)/b17-7+,18-8+
InChIKey
LDNCWSAHVWXJNF-ZEELXFFVSA-N
Compound name
2-(3-aminopropyl)-1-[(E)-[(2E)-2-[[N'-(3-aminopropyl)carbamimidoyl]hydrazinylidene]ethylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

254
Patents

284.21854 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22582 157.1
[M+Na]+ 307.20776 157.3
[M-H]- 283.21126 160.4
[M+NH4]+ 302.25236 170.9
[M+K]+ 323.18170 158.6
[M+H-H2O]+ 267.21580 146.1
[M+HCOO]- 329.21674 190.9
[M+CH3COO]- 343.23239 233.1
[M+Na-2H]- 305.19321 160.8
[M]+ 284.21799 151.0
[M]- 284.21909 151.0
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